CFam Chemical Families Database
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You are searching for "CFAMM00368920" in compound.

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CFAM Mol ID CFAMM00368920
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 ZINC00105133 External Source ZINC
PubChem CID 6925655 Functional Category Natural Product
Molecule Name AC1OBQN3
IUPAC Name (1R,3R)-1-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate
Synonyms ZINC00105133;(1R,3R)-1-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate
InChi InChI=1S/C19H18N2O2/c1-11-6-8-12(9-7-11)17-18-14(10-16(21-17)19(22)23)13-4-2-3-5-15(13)20-18/h2-9,16-17,20-21H,10H2,1H3,(H,22,23)/t16-,17-/m1/s1
InChiKey AATJFFJZXDUIAL-IAGOWNOFSA-N
Formula C19H18N2O2 Molecular Weight 306.36
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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