NP-MRD: Showing NP-Card for [2-(16-{3-[2-(dimethylamino)ethyl]-1h-indol-2-yl}-12,14,14-trimethyl-1-azatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-2,4,6,8,11-pentaen-8-yl)ethyl]dimethylamine (NP0311644)

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Record Information

Version

2.0

Created at

2022-09-11 07:46:31 UTC

Updated at

2022-09-11 07:46:31 UTC

NP-MRD ID

NP0311644

Secondary Accession Numbers

None

Natural Product Identification

Common Name

[2-(16-{3-[2-(dimethylamino)ethyl]-1h-indol-2-yl}-12,14,14-trimethyl-1-azatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-2,4,6,8,11-pentaen-8-yl)ethyl]dimethylamine

Description

[2-(2-{8-[2-(Dimethylamino)ethyl]-12,14,14-trimethyl-1-azatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]Hexadeca-2,4,6,8,11-pentaen-16-yl}-1H-indol-3-yl)ethyl]dimethylamine belongs to the class of organic compounds known as tryptamines and derivatives. Tryptamines and derivatives are compounds containing the tryptamine backbone, which is structurally characterized by an indole ring substituted at the 3-position by an ethanamine. [2-(16-{3-[2-(dimethylamino)ethyl]-1h-indol-2-yl}-12,14,14-trimethyl-1-azatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-2,4,6,8,11-pentaen-8-yl)ethyl]dimethylamine is found in Flindersia fournieri. [2-(2-{8-[2-(Dimethylamino)ethyl]-12,14,14-trimethyl-1-azatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]Hexadeca-2,4,6,8,11-pentaen-16-yl}-1H-indol-3-yl)ethyl]dimethylamine is a very strong basic compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004191522292D          

 38 43  0  0  0  0            999 V2000
    1.1819   -5.5283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8816   -4.5907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4835   -4.0265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2061   -4.4245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5491   -5.8923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2287   -6.6526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4102   -6.7553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9119   -6.0978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 15 38  1  0  0  0  0
 25 38  1  0  0  0  0
M  END

     RDKit          3D

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M  END


  Mrv1533004191522292D          

 38 43  0  0  0  0            999 V2000
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    2.2547   -2.5409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8788   -3.0805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3613   -3.7230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1221   -3.8688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6320   -1.8969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2338   -1.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1311   -0.5140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3708   -0.1937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2681    0.6249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5078    0.9452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9257    1.1231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9565   -1.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7358   -1.4600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3599   -1.9996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2046   -2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4253   -3.0805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8012   -2.5409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9826   -2.6436    0.0000 N   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
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
  6 14  1  0  0  0  0
  9 14  1  0  0  0  0
  7 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 16 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 17 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 26 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 32 37  1  0  0  0  0
 37 38  1  0  0  0  0
 15 38  1  0  0  0  0
 25 38  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0311644

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CN(C)CCC1=C(NC2=CC=CC=C12)C1C2C(C=C(C)CC2(C)C)C2=C(CCN(C)C)C3=CC=CC=C3N12

> <INCHI_IDENTIFIER>
InChI=1S/C34H44N4/c1-22-20-27-30(34(2,3)21-22)33(31-25(16-18-36(4)5)23-12-8-10-14-28(23)35-31)38-29-15-11-9-13-24(29)26(32(27)38)17-19-37(6)7/h8-15,20,27,30,33,35H,16-19,21H2,1-7H3

> <INCHI_KEY>
KTNDVQALWXIUSO-UHFFFAOYSA-N

> <FORMULA>
C34H44N4

> <MOLECULAR_WEIGHT>
508.754

> <EXACT_MASS>
508.356597433

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
82

> <JCHEM_AVERAGE_POLARIZABILITY>
62.09856527722201

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[2-(2-{8-[2-(dimethylamino)ethyl]-12,14,14-trimethyl-1-azatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-2,4,6,8,11-pentaen-16-yl}-1H-indol-3-yl)ethyl]dimethylamine

> <ALOGPS_LOGP>
6.13

> <JCHEM_LOGP>
6.431216869

> <ALOGPS_LOGS>
-5.63

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
2

> <JCHEM_PKA_STRONGEST_ACIDIC>
16.526478054583922

> <JCHEM_PKA_STRONGEST_BASIC>
9.780640922845096

> <JCHEM_POLAR_SURFACE_AREA>
27.200000000000003

> <JCHEM_REFRACTIVITY>
162.59079999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.18e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
[2-(2-{8-[2-(dimethylamino)ethyl]-12,14,14-trimethyl-1-azatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-2,4,6,8,11-pentaen-16-yl}-1H-indol-3-yl)ethyl]dimethylamine

> <JCHEM_VEBER_RULE>
1

$$$$

HEADER    PROTEIN                                 19-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   19-APR-15         0                                  
HETATM    1  C   UNK     0       2.206 -10.320   0.000  0.00  0.00           C+0
HETATM    2  N   UNK     0       3.213  -9.155   0.000  0.00  0.00           N+0
HETATM    3  C   UNK     0       2.708  -7.700   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       4.726  -9.444   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       5.733  -8.280   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       7.246  -8.569   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       8.369  -7.516   0.000  0.00  0.00           C+0
HETATM    8  N   UNK     0       9.718  -8.259   0.000  0.00  0.00           N+0
HETATM    9  C   UNK     0       9.428  -9.772   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      10.358 -10.999   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       9.760 -12.418   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       8.232 -12.610   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       7.302 -11.382   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       7.900  -9.963   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       8.177  -5.988   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       6.828  -5.245   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       7.118  -3.733   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       5.953  -2.725   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.499  -3.231   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       3.334  -2.223   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       4.209  -4.743   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       5.374  -5.750   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       4.408  -6.950   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       5.828  -7.222   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       8.646  -3.541   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       9.770  -2.488   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       9.578  -0.960   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       8.159  -0.362   0.000  0.00  0.00           C+0
HETATM   29  N   UNK     0       7.967   1.166   0.000  0.00  0.00           N+0
HETATM   30  C   UNK     0       6.548   1.764   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       9.195   2.097   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      11.119  -3.231   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      12.573  -2.725   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      13.738  -3.733   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      13.449  -5.245   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      11.994  -5.750   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      10.829  -4.743   0.000  0.00  0.00           C+0
HETATM   38  N   UNK     0       9.301  -4.935   0.000  0.00  0.00           N+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   14                                                  
CONECT    7    6    8   15                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10   14                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13    6    9                                                  
CONECT   15    7   16   38                                                  
CONECT   16   15   17   22                                                  
CONECT   17   16   18   25                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   22                                                       
CONECT   22   21   16   23   24                                             
CONECT   23   22                                                            
CONECT   24   22                                                            
CONECT   25   17   26   38                                                  
CONECT   26   25   27   32                                                  
CONECT   27   26   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29                                                            
CONECT   32   26   33   37                                                  
CONECT   33   32   34                                                       
CONECT   34   33   35                                                       
CONECT   35   34   36                                                       
CONECT   36   35   37                                                       
CONECT   37   36   32   38                                                  
CONECT   38   37   15   25                                                  
MASTER        0    0    0    0    0    0    0    0   38    0   86    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₄H₄₄N₄

Average Mass

508.7540 Da

Monoisotopic Mass

508.35660 Da

IUPAC Name

[2-(2-{8-[2-(dimethylamino)ethyl]-12,14,14-trimethyl-1-azatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-2,4,6,8,11-pentaen-16-yl}-1H-indol-3-yl)ethyl]dimethylamine

Traditional Name

[2-(2-{8-[2-(dimethylamino)ethyl]-12,14,14-trimethyl-1-azatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-2,4,6,8,11-pentaen-16-yl}-1H-indol-3-yl)ethyl]dimethylamine

CAS Registry Number

Not Available

SMILES

CN(C)CCC1=C(NC2=CC=CC=C12)C1C2C(C=C(C)CC2(C)C)C2=C(CCN(C)C)C3=CC=CC=C3N12

InChI Identifier

InChI=1S/C34H44N4/c1-22-20-27-30(34(2,3)21-22)33(31-25(16-18-36(4)5)23-12-8-10-14-28(23)35-31)38-29-15-11-9-13-24(29)26(32(27)38)17-19-37(6)7/h8-15,20,27,30,33,35H,16-19,21H2,1-7H3

InChI Key

KTNDVQALWXIUSO-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
Flindersia fournieri	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as tryptamines and derivatives. Tryptamines and derivatives are compounds containing the tryptamine backbone, which is structurally characterized by an indole ring substituted at the 3-position by an ethanamine.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Indoles and derivatives

Sub Class

Tryptamines and derivatives

Direct Parent

Tryptamines and derivatives

Alternative Parents

Substituents

Tryptamine
3-alkylindole
Indole
Isoindole or derivatives
Pyrrolizine
Aralkylamine
Benzenoid
Substituted pyrrole
Pyrrole
Heteroaromatic compound
Tertiary aliphatic amine
Tertiary amine
Azacycle
Hydrocarbon derivative
Organonitrogen compound
Organopnictogen compound
Organic nitrogen compound
Amine
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic 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	6.13	ALOGPS
logP	6.43	ChemAxon
logS	-5.6	ALOGPS
pKa (Strongest Acidic)	16.53	ChemAxon
pKa (Strongest Basic)	9.78	ChemAxon
Physiological Charge	2	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	27.2 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	162.59 m³·mol⁻¹	ChemAxon
Polarizability	62.1 Å³	ChemAxon
Number of Rings	6	ChemAxon
Bioavailability	No	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

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for [2-(16-{3-[2-(dimethylamino)ethyl]-1h-indol-2-yl}-12,14,14-trimethyl-1-azatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-2,4,6,8,11-pentaen-8-yl)ethyl]dimethylamine (NP0311644)

MOL for NP0311644 ([2-(16-{3-[2-(dimethylamino)ethyl]-1h-indol-2-yl}-12,14,14-trimethyl-1-azatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-2,4,6,8,11-pentaen-8-yl)ethyl]dimethylamine)

3D MOL for NP0311644 ([2-(16-{3-[2-(dimethylamino)ethyl]-1h-indol-2-yl}-12,14,14-trimethyl-1-azatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-2,4,6,8,11-pentaen-8-yl)ethyl]dimethylamine)

3D SDF for NP0311644 ([2-(16-{3-[2-(dimethylamino)ethyl]-1h-indol-2-yl}-12,14,14-trimethyl-1-azatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-2,4,6,8,11-pentaen-8-yl)ethyl]dimethylamine)

3D-SDF for NP0311644 ([2-(16-{3-[2-(dimethylamino)ethyl]-1h-indol-2-yl}-12,14,14-trimethyl-1-azatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-2,4,6,8,11-pentaen-8-yl)ethyl]dimethylamine)

PDB for NP0311644 ([2-(16-{3-[2-(dimethylamino)ethyl]-1h-indol-2-yl}-12,14,14-trimethyl-1-azatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-2,4,6,8,11-pentaen-8-yl)ethyl]dimethylamine)

3D PDB for NP0311644 ([2-(16-{3-[2-(dimethylamino)ethyl]-1h-indol-2-yl}-12,14,14-trimethyl-1-azatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-2,4,6,8,11-pentaen-8-yl)ethyl]dimethylamine)

SMILES for NP0311644 ([2-(16-{3-[2-(dimethylamino)ethyl]-1h-indol-2-yl}-12,14,14-trimethyl-1-azatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-2,4,6,8,11-pentaen-8-yl)ethyl]dimethylamine)

INCHI for NP0311644 ([2-(16-{3-[2-(dimethylamino)ethyl]-1h-indol-2-yl}-12,14,14-trimethyl-1-azatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-2,4,6,8,11-pentaen-8-yl)ethyl]dimethylamine)

Structure for NP0311644 ([2-(16-{3-[2-(dimethylamino)ethyl]-1h-indol-2-yl}-12,14,14-trimethyl-1-azatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-2,4,6,8,11-pentaen-8-yl)ethyl]dimethylamine)

3D Structure for NP0311644 ([2-(16-{3-[2-(dimethylamino)ethyl]-1h-indol-2-yl}-12,14,14-trimethyl-1-azatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-2,4,6,8,11-pentaen-8-yl)ethyl]dimethylamine)