CFam Chemical Families Database
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You are searching for "CFAMM00243651" in compound.

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Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

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CFAM Mol ID CFAMM00243651
Family CFFID1577 Alpha-1A adrenergic receptor Ligand Upidosin Family
Superfamily CFSID1229 Alpha-1A adrenergic receptor Ligand Upidosin Superfamily
Class CFCID327 Class 1677
External ID 57240125 External Source PubChem
PubChem CID 57240125 Functional Category Patent Compound
Molecule Name AGN-PC-0BQ4YQ
IUPAC Name 4-[[2-[[2-(3-aminopropoxy)benzoyl]amino]-5-[[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxohexoxy]phenyl]carbamoyl]phenyl]methoxy]butanoic acid
Synonyms 4-[[2-[[2-(3-aminopropoxy)benzoyl]amino]-5-[[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxohexoxy]phenyl]carbamoyl]phenyl]methoxy]butanoic acid
InChi InChI=1S/C40H53N5O8/c1-29-14-16-34(36(26-29)53-24-7-3-4-12-37(46)45-21-19-44(2)20-22-45)43-39(49)30-15-17-33(31(27-30)28-51-23-8-13-38(47)48)42-40(50)32-10-5-6-11-35(32)52-25-9-18-41/h5-6,10-11,14-17,26-27H,3-4,7-9,12-13,18-25,28,41H2,1-2H3,(H,42,50)(H,43,49)(H,47,48)
InChiKey JSJOPZRVZOBWFE-UHFFFAOYSA-N
Formula C40H53N5O8 Molecular Weight 731.88
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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