CFam Chemical Families Database
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You are searching for "CFAMM00288176" in compound.

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CFAM Mol ID CFAMM00288176
Family CFFID3288 Gamma-aminobutyric acid receptor subunit alpha-1 and Gamma-aminobutyric acid receptor subunit gamma-2 Ligand Ethyl 9h-pyrido[3,4-b]indole-3-carboxylate Family
Superfamily CFSID2286 Gamma-aminobutyric acid receptor subunit alpha-1 and Gamma-aminobutyric acid receptor subunit gamma-2 Ligand Ethyl 9h-pyrido[3,4-b]indole-3-carboxylate Superfamily
Class CFCID1374 Class 2724
External ID ZINC01814848 External Source ZINC
PubChem CID 6996465 Functional Category Natural Product
Molecule Name (3S)-1-(4-(methoxycarbonyl)phenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid compound with acetic acid (1:1)
IUPAC Name (1S,3S)-1-(4-methoxycarbonylphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate
Synonyms ZINC01814848;(1S,3S)-1-(4-methoxycarbonylphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate
InChi InChI=1S/C20H18N2O4/c1-26-20(25)12-8-6-11(7-9-12)17-18-14(10-16(22-17)19(23)24)13-4-2-3-5-15(13)21-18/h2-9,16-17,21-22H,10H2,1H3,(H,23,24)/t16-,17-/m0/s1
InChiKey LGZGOHXTBJSWFV-IRXDYDNUSA-N
Formula C20H18N2O4 Molecular Weight 350.37
Cross Link
Structure

Statistics of CFAM Database

 
CFAM currently contains 490,279 molecules in 87,136 families, 34,880 superfamilies and 11,643 classes.
 

How to cite our database

 
C. Zhang, L. Tao, C. Qin, P. Zhang, S.Y. Chen, X. Zeng, F. Xu, Z. Chen, S.Y. Yang and Y.Z. CFam: A Chemical Families Database Based on Iterative Selection of Functional Seeds and Seed-Directed Compound Clustering. Nucl. Acids Res. 43 (D1): D558-D565 (2015) (First published online: November 20, 2014).
 

Last update by

 
2014.08.29
 

 

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Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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