CFam Chemical Families Database
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You are searching for "CFAMM00447087" in compound.

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CFAM Mol ID CFAMM00447087
Family CFFBM18410 Sodium/hydrogen exchanger 1 inhibitor 2-[(E)-[2-(1H-benzimidazol-2-ylsulfanyl)-5-nitro-2,3-dihydroinden-1-ylidene]amino]guanidine family
Superfamily CFSBM5333 Reverse transcriptase/RNaseH and Retinal dehydrogenase 1 Binder Superfamily
Class CFCBM594 Class 3644
External ID CHEMBL563763 External Source CHEMBL
PubChem CID 44224778 Functional Category Bioactive
Molecule Name 2-[(E)-[5-chloro-2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]-2,3-dihydroinden-1-ylidene]amino]guanidine;hydrochloride
IUPAC Name 2-[(E)-[5-chloro-2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]-2,3-dihydroinden-1-ylidene]amino]guanidine;hydrochloride
Synonyms CHEBI:668194
InChi InChI=1S/C17H14ClN7O2S.ClH/c18-9-1-3-11-8(5-9)6-14(15(11)23-24-16(19)20)28-17-21-12-4-2-10(25(26)27)7-13(12)22-17;/h1-5,7,14H,6H2,(H,21,22)(H4,19,20,24);1H/b23-15+;
InChiKey JFQPDUMOKRSQIN-BUGNPGDCSA-N
Formula C17H15Cl2N7O2S Molecular Weight 452.32
Cross Link CHEMBL563763
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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