NP-MRD: Showing NP-Card for lapidilectam (NP0217837)

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Record Information

Version

2.0

Created at

2022-09-05 18:18:10 UTC

Updated at

2022-09-05 18:18:11 UTC

NP-MRD ID

NP0217837

Secondary Accession Numbers

None

Natural Product Identification

Common Name

lapidilectam

Description

Lapidilectam belongs to the class of organic compounds known as indolecarboxylic acids. Indolecarboxylic acids are compounds containing a carboxylic acid group linked to an indole. Based on a literature review very few articles have been published on Lapidilectam.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652309052220182D          

 33 37  0  0  1  0            999 V2000
    5.4310    1.9189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5813    1.0675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9809    0.3994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2661    0.8656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1118   -0.5240    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9990   -0.7217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5299   -1.4394    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3619   -1.5548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4749   -2.3905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8089   -2.8872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0926   -3.7291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2367   -2.2987    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5181   -2.8016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6640   -2.6113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2269   -1.8508    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2165   -1.8589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4671   -0.9861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9234   -2.6728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3815   -3.5177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4591   -2.1406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0238   -2.8415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1992   -2.8149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8099   -2.0876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2452   -1.3867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0697   -1.4133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5241   -0.6995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0861    0.0633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6076    0.7280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2907    0.4326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1052    1.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3265   -0.9483    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9877   -1.4020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7386   -1.5694    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
  5  3  1  6  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  7 12  1  6  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  1  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 15 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 20 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 31 26  1  1  0  0  0
  5 31  1  0  0  0  0
 15 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
  7 33  1  0  0  0  0
M  END


  Mrv1652309052220182D          

 33 37  0  0  1  0            999 V2000
    5.4310    1.9189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5813    1.0675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9809    0.3994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2661    0.8656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1118   -0.5240    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9990   -0.7217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5299   -1.4394    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3619   -1.5548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4749   -2.3905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8089   -2.8872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0926   -3.7291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2367   -2.2987    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5181   -2.8016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6640   -2.6113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2269   -1.8508    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2165   -1.8589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4671   -0.9861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9234   -2.6728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3815   -3.5177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4591   -2.1406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0238   -2.8415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1992   -2.8149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8099   -2.0876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2452   -1.3867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0697   -1.4133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5241   -0.6995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0861    0.0633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6076    0.7280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2907    0.4326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1052    1.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3265   -0.9483    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9877   -1.4020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7386   -1.5694    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
  5  3  1  6  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  7 12  1  6  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  1  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 15 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 20 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 31 26  1  1  0  0  0
  5 31  1  0  0  0  0
 15 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
  7 33  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0217837

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC(=O)[C@@H]1C[C@@]23CC[C@@]11N(C(=O)OC)C4=CC=CC=C4[C@]1(CCN2C(=O)C=C3)C(=O)OC

> <INCHI_IDENTIFIER>
InChI=1S/C24H26N2O7/c1-31-19(28)16-14-22-9-8-18(27)25(22)13-12-23(20(29)32-2)15-6-4-5-7-17(15)26(21(30)33-3)24(16,23)11-10-22/h4-9,16H,10-14H2,1-3H3/t16-,22+,23+,24+/m0/s1

> <INCHI_KEY>
VOHFPFMHDXIAOK-FDUHJNRSSA-N

> <FORMULA>
C24H26N2O7

> <MOLECULAR_WEIGHT>
454.479

> <EXACT_MASS>
454.174001185

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
59

> <JCHEM_AVERAGE_POLARIZABILITY>
45.71979357896027

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2,9,18-trimethyl (1R,9S,16R,18R)-13-oxo-2,12-diazapentacyclo[14.2.2.0^{1,9}.0^{3,8}.0^{12,16}]icosa-3,5,7,14-tetraene-2,9,18-tricarboxylate

> <JCHEM_LOGP>
1.4422395896666658

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-0.10576551497963027

> <JCHEM_POLAR_SURFACE_AREA>
102.45

> <JCHEM_REFRACTIVITY>
115.745

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
2,9,18-trimethyl (1R,9S,16R,18R)-13-oxo-2,12-diazapentacyclo[14.2.2.0^{1,9}.0^{3,8}.0^{12,16}]icosa-3,5,7,14-tetraene-2,9,18-tricarboxylate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 05-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   05-SEP-22         0                                  
HETATM    1  C   UNK     0      10.138   3.582   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      10.418   1.993   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       9.298   0.745   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       7.963   1.616   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       9.542  -0.978   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      11.198  -1.347   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      12.189  -2.687   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      13.742  -2.902   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      13.953  -4.462   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      12.710  -5.389   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      13.240  -6.961   0.000  0.00  0.00           O+0
HETATM   12  N   UNK     0      11.642  -4.291   0.000  0.00  0.00           N+0
HETATM   13  C   UNK     0      10.300  -5.230   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       8.706  -4.874   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       7.890  -3.455   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       9.738  -3.470   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      10.205  -1.841   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0      11.057  -4.989   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0      10.045  -6.566   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       6.457  -3.996   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       5.644  -5.304   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       4.105  -5.255   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       3.379  -3.897   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       4.191  -2.589   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       5.730  -2.638   0.000  0.00  0.00           C+0
HETATM   26  N   UNK     0       6.578  -1.306   0.000  0.00  0.00           N+0
HETATM   27  C   UNK     0       5.761   0.118   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       6.734   1.359   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0       4.276   0.808   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0       3.930   2.368   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       8.076  -1.770   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       9.310  -2.617   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      10.712  -2.929   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6   31                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8   12   33                                             
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10    7   13                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16   20   31                                             
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19                                                       
CONECT   19   18                                                            
CONECT   20   15   21   25                                                  
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   20   26                                                  
CONECT   26   25   27   31                                                  
CONECT   27   26   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27   30                                                       
CONECT   30   29                                                            
CONECT   31   26    5   15   32                                             
CONECT   32   31   33                                                       
CONECT   33   32    7                                                       
MASTER        0    0    0    0    0    0    0    0   33    0   74    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₄H₂₆N₂O₇

Average Mass

454.4790 Da

Monoisotopic Mass

454.17400 Da

IUPAC Name

2,9,18-trimethyl (1R,9S,16R,18R)-13-oxo-2,12-diazapentacyclo[14.2.2.0^{1,9}.0^{3,8}.0^{12,16}]icosa-3,5,7,14-tetraene-2,9,18-tricarboxylate

Traditional Name

2,9,18-trimethyl (1R,9S,16R,18R)-13-oxo-2,12-diazapentacyclo[14.2.2.0^{1,9}.0^{3,8}.0^{12,16}]icosa-3,5,7,14-tetraene-2,9,18-tricarboxylate

CAS Registry Number

Not Available

SMILES

COC(=O)[C@@H]1C[C@@]23CC[C@@]11N(C(=O)OC)C4=CC=CC=C4[C@]1(CCN2C(=O)C=C3)C(=O)OC

InChI Identifier

InChI=1S/C24H26N2O7/c1-31-19(28)16-14-22-9-8-18(27)25(22)13-12-23(20(29)32-2)15-6-4-5-7-17(15)26(21(30)33-3)24(16,23)11-10-22/h4-9,16H,10-14H2,1-3H3/t16-,22+,23+,24+/m0/s1

InChI Key

VOHFPFMHDXIAOK-FDUHJNRSSA-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

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as indolecarboxylic acids. Indolecarboxylic acids are compounds containing a carboxylic acid group linked to an indole.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Indoles and derivatives

Sub Class

Indolecarboxylic acids and derivatives

Direct Parent

Indolecarboxylic acids

Alternative Parents

Substituents

Indolecarboxylic acid
Dicarboxylic acid or derivatives
Benzenoid
Pyrroline
Tertiary carboxylic acid amide
Carbamic acid ester
Methyl ester
Carboxamide group
Carbonic acid derivative
Lactam
Carboxylic acid ester
Carboxylic acid derivative
Azacycle
Carbonyl group
Organooxygen compound
Organonitrogen compound
Organic oxygen compound
Organic nitrogen compound
Organopnictogen compound
Hydrocarbon derivative
Organic oxide
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

indolyl carboxylic acid (CHEBI:68092 )

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	1.44	ChemAxon
pKa (Strongest Basic)	-0.11	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	102.45 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	115.74 m³·mol⁻¹	ChemAxon
Polarizability	45.72 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

C00024565

Chemspider ID

10214108

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

21592343

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for lapidilectam (NP0217837)

MOL for NP0217837 (lapidilectam)

3D MOL for NP0217837 (lapidilectam)

3D SDF for NP0217837 (lapidilectam)

3D-SDF for NP0217837 (lapidilectam)

PDB for NP0217837 (lapidilectam)

3D PDB for NP0217837 (lapidilectam)

SMILES for NP0217837 (lapidilectam)

INCHI for NP0217837 (lapidilectam)

Structure for NP0217837 (lapidilectam)

3D Structure for NP0217837 (lapidilectam)