CFam Chemical Families Database
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You are searching for "CFAMM00273770" in compound.

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CFAM Mol ID CFAMM00273770
Family CFFID2686 Multidrug resistance protein 1 and Multidrug resistance-associated protein 1 Inhibitor XR-9456 Family
Superfamily CFSID989 Multidrug resistance protein 1 and Multidrug resistance-associated protein 1 Binder Superfamily
Class CFCCD246 Class 1059
External ID 54366115 External Source PubChem
PubChem CID 54366115 Functional Category Patent Compound
Molecule Name AGN-PC-0A60XH
IUPAC Name 3-[[5-benzylidene-4-[2-(dimethylamino)ethyl]-3,6-dioxopiperazin-2-ylidene]methyl]-N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]benzamide
Synonyms SureCN8789770;3-[[5-benzylidene-4-[2-(dimethylamino)ethyl]-3,6-dioxopiperazin-2-ylidene]methyl]-N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]benzamide
InChi InChI=1S/C42H45N5O5/c1-45(2)21-22-47-37(25-30-9-6-5-7-10-30)41(49)44-36(42(47)50)24-31-11-8-12-33(23-31)40(48)43-35-15-13-29(14-16-35)17-19-46-20-18-32-26-38(51-3)39(52-4)27-34(32)28-46/h5-16,23-27H,17-22,28H2,1-4H3,(H,43,48)(H,44,49)
InChiKey UPXASELIVPAVIA-UHFFFAOYSA-N
Formula C42H45N5O5 Molecular Weight 699.84
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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