NP-MRD: Showing NP-Card for 2,3-diphenyl-1-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}butan-1-one (NP0286235)

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Record Information

Version

2.0

Created at

2022-09-09 14:43:32 UTC

Updated at

2022-09-09 14:43:32 UTC

NP-MRD ID

NP0286235

Secondary Accession Numbers

None

Natural Product Identification

Common Name

2,3-diphenyl-1-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}butan-1-one

Description

55620-98-9 Belongs to the class of organic compounds known as retro-dihydrochalcones. These are a form of normal dihydrochalcones that are structurally distinguished by the lack of oxygen functionalities at the C2'- and C6'-positions. 2,3-diphenyl-1-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}butan-1-one is found in Streptomyces gramineus. Based on a literature review very few articles have been published on 55620-98-9.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309092216432D          

 31 34  0  0  0  0            999 V2000
   -8.5737    8.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5737    7.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2881    6.7661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2881    5.9411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0026    5.5286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7171    5.9411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7171    6.7661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0026    7.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8592    6.7661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1447    7.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1447    8.0036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302    6.7661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158    7.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013    6.7661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013    5.9411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    5.5286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    4.7036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    4.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    3.4661    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9049    2.9812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1599    2.1965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9849    2.1965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2398    2.9812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158    5.5286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302    5.9411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8592    5.9411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1447    5.5286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1447    4.7036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8592    4.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5737    4.7036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5737    5.5286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  3  8  1  0  0  0  0
  2  9  1  0  0  0  0
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 19 20  1  0  0  0  0
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 19 23  1  0  0  0  0
 15 24  1  0  0  0  0
 24 25  2  0  0  0  0
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  9 26  1  0  0  0  0
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 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 26 31  1  0  0  0  0
M  END

     RDKit          3D

 62 65  0  0  0  0  0  0  0  0999 V2000
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   -4.5396    0.2628   -0.1696 C   0  0  2  0  0  0  0  0  0  0  0  0
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    5.3786    0.1826    1.2617 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0268   -0.7235    0.3337 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4394   -0.6061    0.5377 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.0661   -0.7283 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0582   -0.5462   -1.7844 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7589   -0.3047   -1.0290 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5138    0.7024   -1.5966 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1545    0.6558   -1.7846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9819   -1.6159    0.3259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9699   -2.1164    1.6091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8592   -3.4542    1.8773 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5279   -0.2093    1.6356 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4623    0.7982    1.9193 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.0633   -0.4721   -0.9175 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1552    0.0801   -2.6802 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9445   -0.8849   -1.5048 H   0  0  0  0  0  0  0  0  0  0  0  0
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 25 12  1  0
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  4 36  1  0
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  6 38  1  0
  7 39  1  0
  8 40  1  0
M  END


  Mrv1652309092216432D          

 31 34  0  0  0  0            999 V2000
   -8.5737    8.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5737    7.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2881    6.7661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2881    5.9411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0026    5.5286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7171    5.9411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7171    6.7661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0026    7.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.1447    7.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1447    8.0036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302    6.7661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.5724    3.4661    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9049    2.9812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1599    2.1965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9849    2.1965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2398    2.9812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.8592    5.9411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1447    5.5286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1447    4.7036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.5737    4.7036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6  7  1  0  0  0  0
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  3  8  1  0  0  0  0
  2  9  1  0  0  0  0
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M  END
> <DATABASE_ID>
NP0286235

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C(C(=O)C1=CC=C(OCCN2CCCC2)C=C1)C1=CC=CC=C1)C1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C28H31NO2/c1-22(23-10-4-2-5-11-23)27(24-12-6-3-7-13-24)28(30)25-14-16-26(17-15-25)31-21-20-29-18-8-9-19-29/h2-7,10-17,22,27H,8-9,18-21H2,1H3

> <INCHI_KEY>
LOOGANXPLOAKII-UHFFFAOYSA-N

> <FORMULA>
C28H31NO2

> <MOLECULAR_WEIGHT>
413.561

> <EXACT_MASS>
413.235479242

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
62

> <JCHEM_AVERAGE_POLARIZABILITY>
47.541964604822006

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2,3-diphenyl-1-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}butan-1-one

> <JCHEM_LOGP>
6.040381890000001

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
17.493464995860165

> <JCHEM_PKA_STRONGEST_BASIC>
8.141081686040188

> <JCHEM_POLAR_SURFACE_AREA>
29.54

> <JCHEM_REFRACTIVITY>
127.02510000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
2,3-diphenyl-1-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}butan-1-one

> <JCHEM_VEBER_RULE>
1

$$$$

HEADER    PROTEIN                                 09-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   09-SEP-22         0                                  
HETATM    1  C   UNK     0     -16.004  14.940   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0     -16.004  13.400   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0     -17.338  12.630   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0     -17.338  11.090   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0     -18.672  10.320   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0     -20.005  11.090   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0     -20.005  12.630   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0     -18.672  13.400   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0     -14.670  12.630   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0     -13.337  13.400   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0     -13.337  14.940   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0     -12.003  12.630   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0     -10.669  13.400   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -9.336  12.630   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -9.336  11.090   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      -8.002  10.320   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      -8.002   8.780   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -6.668   8.010   0.000  0.00  0.00           C+0
HETATM   19  N   UNK     0      -6.668   6.470   0.000  0.00  0.00           N+0
HETATM   20  C   UNK     0      -5.423   5.565   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -5.898   4.100   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -7.438   4.100   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -7.914   5.565   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0     -10.669  10.320   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0     -12.003  11.090   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0     -14.670  11.090   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0     -13.337  10.320   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0     -13.337   8.780   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0     -14.670   8.010   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0     -16.004   8.780   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0     -16.004  10.320   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    9                                                  
CONECT    3    2    4    8                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    3                                                       
CONECT    9    2   10   26                                                  
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13   25                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16   24                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20   23                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   19                                                       
CONECT   24   15   25                                                       
CONECT   25   24   12                                                       
CONECT   26    9   27   31                                                  
CONECT   27   26   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   26                                                       
MASTER        0    0    0    0    0    0    0    0   31    0   68    0
END

View in JSmol

Synonyms

Value	Source
3-Methyl-4'-(beta-pyrrolidinoethoxy)-2,3-diphenylpropiophenone	MeSH

Chemical Formula

C₂₈H₃₁NO₂

Average Mass

413.5610 Da

Monoisotopic Mass

413.23548 Da

IUPAC Name

2,3-diphenyl-1-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}butan-1-one

Traditional Name

2,3-diphenyl-1-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}butan-1-one

CAS Registry Number

Not Available

SMILES

CC(C(C(=O)C1=CC=C(OCCN2CCCC2)C=C1)C1=CC=CC=C1)C1=CC=CC=C1

InChI Identifier

InChI=1S/C28H31NO2/c1-22(23-10-4-2-5-11-23)27(24-12-6-3-7-13-24)28(30)25-14-16-26(17-15-25)31-21-20-29-18-8-9-19-29/h2-7,10-17,22,27H,8-9,18-21H2,1H3

InChI Key

LOOGANXPLOAKII-UHFFFAOYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Streptomyces gramineus	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as retro-dihydrochalcones. These are a form of normal dihydrochalcones that are structurally distinguished by the lack of oxygen functionalities at the C2'- and C6'-positions.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Linear 1,3-diarylpropanoids

Sub Class

Chalcones and dihydrochalcones

Direct Parent

Retro-dihydrochalcones

Alternative Parents

Substituents

Retro-dihydrochalcone
Stilbene
Alkyl-phenylketone
Butyrophenone
Phenylketone
Phenylpropane
Phenoxy compound
Benzoyl
Phenol ether
Aryl alkyl ketone
Aryl ketone
Alkyl aryl ether
Monocyclic benzene moiety
Benzenoid
N-alkylpyrrolidine
Pyrrolidine
Ketone
Tertiary aliphatic amine
Tertiary amine
Azacycle
Ether
Organoheterocyclic compound
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Organic nitrogen compound
Organic oxide
Organopnictogen compound
Organic oxygen compound
Amine
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	6.04	ChemAxon
pKa (Strongest Acidic)	17.49	ChemAxon
pKa (Strongest Basic)	8.14	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	29.54 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	127.03 m³·mol⁻¹	ChemAxon
Polarizability	47.54 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	Yes	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

37856

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

41489

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 2,3-diphenyl-1-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}butan-1-one (NP0286235)

MOL for NP0286235 (2,3-diphenyl-1-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}butan-1-one)

3D MOL for NP0286235 (2,3-diphenyl-1-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}butan-1-one)

3D SDF for NP0286235 (2,3-diphenyl-1-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}butan-1-one)

3D-SDF for NP0286235 (2,3-diphenyl-1-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}butan-1-one)

PDB for NP0286235 (2,3-diphenyl-1-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}butan-1-one)

3D PDB for NP0286235 (2,3-diphenyl-1-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}butan-1-one)

SMILES for NP0286235 (2,3-diphenyl-1-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}butan-1-one)

INCHI for NP0286235 (2,3-diphenyl-1-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}butan-1-one)

Structure for NP0286235 (2,3-diphenyl-1-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}butan-1-one)

3D Structure for NP0286235 (2,3-diphenyl-1-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}butan-1-one)