CFam Chemical Families Database
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You are searching for "CFAMM00441012" in compound.

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CFAM Mol ID CFAMM00441012
Family CFFBM17190 Acetylcholinesterase and Cholinesterase inhibitor AGN-PC-077PIN family
Superfamily CFSBM7005 Cholinesterase and Acetylcholinesterase Binder Superfamily 13
Class CFCID1690 Class 3040
External ID CHEMBL447544 External Source CHEMBL
PubChem CID 44585970 Functional Category Bioactive
Molecule Name AGN-PC-077PIM
IUPAC Name 2-[[1-[2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]ethyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one;hydrochloride
Synonyms CHEBI:608514;2-[[1-[2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]ethyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one;hydrochloride
InChi InChI=1S/C32H38ClN3O3.ClH/c1-38-29-17-21-16-22(32(37)26(21)19-30(29)39-2)15-20-9-12-36(13-10-20)14-11-34-31-24-5-3-4-6-27(24)35-28-18-23(33)7-8-25(28)31;/h7-8,17-20,22H,3-6,9-16H2,1-2H3,(H,34,35);1H
InChiKey OLQVXKGHRLHVBW-UHFFFAOYSA-N
Formula C32H39Cl2N3O3 Molecular Weight 584.58
Cross Link CHEMBL447544
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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Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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