CFam Chemical Families Database
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You are searching for "CFAMM00410844" in compound.

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CFAM Mol ID CFAMM00410844
Family CFFBM11659 Cholinesterase and Acetylcholinesterase inhibitor 6-[2-methoxy-4-[(E)-3-oxo-3-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octylamino]prop-1-enyl]phenoxy]hexyl nitrate family
Superfamily CFSBM4047 Acetylcholinesterase and Butyrylcholinesterase Binder Superfamily 2
Class CFCAD24 Class 24
External ID CHEMBL2380604 External Source CHEMBL
PubChem CID 71625558 Functional Category Bioactive
Molecule Name 2-[4-[2-fluoro-4-[1-oxo-1-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propylamino]propan-2-yl]phenyl]phenoxy]ethyl nitrate
IUPAC Name 2-[4-[2-fluoro-4-[1-oxo-1-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propylamino]propan-2-yl]phenyl]phenoxy]ethyl nitrate
Synonyms
InChi InChI=1S/C33H35FN4O5/c1-22(24-13-16-26(29(34)21-24)23-11-14-25(15-12-23)42-19-20-43-38(40)41)33(39)36-18-6-17-35-32-27-7-2-4-9-30(27)37-31-10-5-3-8-28(31)32/h2,4,7,9,11-16,21-22H,3,5-6,8,10,17-20H2,1H3,(H,35,37)(H,36,39)
InChiKey JFDHFBUOFZFAPW-UHFFFAOYSA-N
Formula C33H35FN4O5 Molecular Weight 586.65
Cross Link CHEMBL2380604
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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