CFam Chemical Families Database
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You are searching for "CFAMM00370198" in compound.

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CFAM Mol ID CFAMM00370198
Family CFFBM6158 C-C chemokine receptor type 2 and C-C chemokine receptor type 5 ligand N-(3,4-dichlorophenyl)-4-[(2R)-4-propan-2-ylpiperazine-2-carbonyl]piperazine-1-carboxamide family
Superfamily CFSBM3561 Beta-lactamase and Aminopeptidase N Binder Superfamily
Class CFCAD221 Class 221
External ID CHEMBL346485 External Source CHEMBL
PubChem CID 44370925 Functional Category Bioactive
Molecule Name SureCN7389067
IUPAC Name (2S)-1-N-(3-chlorophenyl)-2-N-[3-(diethylamino)propyl]-4-N,4-N-dipentyl-1-N-phenylpiperazine-1,2,4-tricarboxamide
Synonyms CHEBI:360269
InChi InChI=1S/C36H55ClN6O3/c1-5-9-14-24-40(25-15-10-6-2)35(45)41-26-27-42(33(29-41)34(44)38-22-17-23-39(7-3)8-4)36(46)43(31-19-12-11-13-20-31)32-21-16-18-30(37)28-32/h11-13,16,18-21,28,33H,5-10,14-15,17,22-27,29H2,1-4H3,(H,38,44)/t33-/m0/s1
InChiKey XRSLJIPNGLZJND-XIFFEERXSA-N
Formula C36H55ClN6O3 Molecular Weight 655.31
Cross Link CHEMBL346485
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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