CFam Chemical Families Database
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You are searching for "CFAMM00243625" 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 CFAMM00243625
Family CFFID1577 Alpha-1A adrenergic receptor Ligand Upidosin Family
Superfamily CFSID1229 Alpha-1A adrenergic receptor Ligand Upidosin Superfamily
Class CFCID327 Class 1677
External ID CHEMBL129035 External Source CHEMBL
PubChem CID 10919602 Functional Category Bioactive
Molecule Name (E)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-[4-[(E)-3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butylamino]-3-oxoprop-1-enyl]phenyl]prop-2-enamide
IUPAC Name (E)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-[4-[(E)-3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butylamino]-3-oxoprop-1-enyl]phenyl]prop-2-enamide
Synonyms CHEBI:309812
InChi InChI=1S/C42H56N6O4/c1-51-39-13-5-3-11-37(39)47-31-27-45(28-32-47)25-9-7-23-43-41(49)21-19-35-15-17-36(18-16-35)20-22-42(50)44-24-8-10-26-46-29-33-48(34-30-46)38-12-4-6-14-40(38)52-2/h3-6,11-22H,7-10,23-34H2,1-2H3,(H,43,49)(H,44,50)/b21-19+,22-20+
InChiKey ICGNIALTNZWGJF-FLFKKZLDSA-N
Formula C42H56N6O4 Molecular Weight 708.93
Cross Link CHEMBL129035
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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