CFam Chemical Families Database
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You are searching for "CFAMM00251428" in compound.

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CFAM Mol ID CFAMM00251428
Family CFFID1817 Adenosine receptor A3 Ligand 2-(5-chloro-1h-benzo[d]imidazol-2-yl)quinoxaline Family
Superfamily CFSID1393 Adenosine receptor A3 Ligand 2-(5-chloro-1h-benzo[d]imidazol-2-yl)quinoxaline Superfamily
Class CFCID907 Class 2257
External ID CHEMBL1684281 External Source CHEMBL
PubChem CID 53326528 Functional Category Bioactive
Molecule Name 1-[(2S)-2-(5,6-dichloro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-(4-phenylpiperazin-1-yl)propan-1-one
IUPAC Name 1-[(2S)-2-(5,6-dichloro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-(4-phenylpiperazin-1-yl)propan-1-one
Synonyms CHEBI:1174556
InChi InChI=1S/C24H27Cl2N5O/c25-18-15-20-21(16-19(18)26)28-24(27-20)22-7-4-9-31(22)23(32)8-10-29-11-13-30(14-12-29)17-5-2-1-3-6-17/h1-3,5-6,15-16,22H,4,7-14H2,(H,27,28)/t22-/m0/s1
InChiKey FMZZRRQPFXKQSU-QFIPXVFZSA-N
Formula C24H27Cl2N5O Molecular Weight 472.41
Cross Link CHEMBL1684281
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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