CFam Chemical Families Database
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You are searching for "CFAMM00351784" in compound.

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CFAM Mol ID CFAMM00351784
Family CFFBM3940 C-C chemokine receptor type 5 ligand AC1LA259 family
Superfamily CFSBM2288 Thromboxane-A synthase and C-C chemokine receptor type 5 Binder Superfamily
Class CFCAD240 Class 240
External ID CHEMBL137728 External Source CHEMBL
PubChem CID 505879 Functional Category Bioactive
Molecule Name AC1LA259
IUPAC Name (2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-[propyl(pyridin-3-yl)amino]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid
Synonyms CHEBI:325155;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-[propyl(pyridin-3-yl)amino]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;1-Pyrrolidineacetic acid, a-cyclohexyl-3-phenyl-4-[[4-(propyl-3-pyridinylamino)-1-piperidinyl]methyl]-, (.alpha.R,3S,4S)-
InChi InChI=1S/C32H46N4O2/c1-2-18-36(29-14-9-17-33-21-29)28-15-19-34(20-16-28)22-27-23-35(24-30(27)25-10-5-3-6-11-25)31(32(37)38)26-12-7-4-8-13-26/h3,5-6,9-11,14,17,21,26-28,30-31H,2,4,7-8,12-13,15-16,18-20,22-24H2,1H3,(H,37,38)/t27-,30+,31+/m0/s1
InChiKey CJOPYFQSLHCHSZ-LXLYTFERSA-N
Formula C32H46N4O2 Molecular Weight 518.73
Cross Link CHEMBL137728
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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Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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