CFam Chemical Families Database
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You are searching for "CFAMM00443581" in compound.

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CFAM Mol ID CFAMM00443581
Family CFFBM17610 Acetylcholinesterase and Cholinesterase inhibitor AGN-PC-04UHBR family
Superfamily CFSBM6164 Cholinesterase and Acetylcholinesterase Binder Superfamily 12
Class CFCAD731 Class 731
External ID CHEMBL568750 External Source CHEMBL
PubChem CID 45485683 Functional Category Bioactive
Molecule Name AGN-PC-07CQ3U
IUPAC Name 2-[4-[4-[N'-[3-[(7-chloroquinolin-4-yl)amino]propyl]carbamimidoyl]phenoxy]phenyl]-1H-indole-6-carboximidamide;2,2,2-trifluoroacetic acid
Synonyms CHEBI:678645;2-[4-[4-[N'-[3-[(7-chloroquinolin-4-yl)amino]propyl]carbamimidoyl]phenoxy]phenyl]-1H-indole-6-carboximidamide;2,2,2-trifluoroacetic acid
InChi InChI=1S/C34H30ClN7O.C2HF3O2/c35-25-8-13-28-29(14-17-40-32(28)20-25)39-15-1-16-41-34(38)22-6-11-27(12-7-22)43-26-9-4-21(5-10-26)30-18-23-2-3-24(33(36)37)19-31(23)42-30;3-2(4,5)1(6)7/h2-14,17-20,42H,1,15-16H2,(H3,36,37)(H2,38,41)(H,39,40);(H,6,7)
InChiKey AQVGOPJLJRUDLZ-UHFFFAOYSA-N
Formula C36H31ClF3N7O3 Molecular Weight 702.12
Cross Link CHEMBL568750
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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