CFam Chemical Families Database
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You are searching for "CFAMM00368910" in compound.

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CFAM Mol ID CFAMM00368910
Family CFFBM5948 Somatostatin receptor type 4 ligand methyl 5-(diaminomethylideneamino)-2-[4-(5,7-difluoro-2-phenyl-1H-indol-3-yl)butanoylamino]pentanoate family
Superfamily CFSBM3440 GABA theta subunit and Nonstructural protein 1 Binder Superfamily
Class CFCAD78 Class 78
External ID ZINC04046632 External Source ZINC
PubChem CID 6568483 Functional Category Natural Product
Molecule Name AC1O6RKM
IUPAC Name methyl (1S,3S)-2-acetyl-1-(3-nitrophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate
Synonyms ZINC04046632;methyl (1S,3S)-2-acetyl-1-(3-nitrophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate
InChi InChI=1S/C21H19N3O5/c1-12(25)23-18(21(26)29-2)11-16-15-8-3-4-9-17(15)22-19(16)20(23)13-6-5-7-14(10-13)24(27)28/h3-10,18,20,22H,11H2,1-2H3/t18-,20-/m0/s1
InChiKey KESMRDQTEMEIAJ-ICSRJNTNSA-N
Formula C21H19N3O5 Molecular Weight 393.39
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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