CFam Chemical Families Database
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You are searching for "CFAMM00445085" in compound.

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CFAM Mol ID CFAMM00445085
Family CFFBM17925 C-C chemokine receptor type 2 ligand (1S,3R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[(3-methyloxan-4-yl)amino]-1-propan-2-ylcyclopentane-1-carboxamide family
Superfamily CFSBM4149 C-C chemokine receptor type 2 and C-C chemokine receptor type 5 Binder Superfamily 2
Class CFCBM420 Class 3470
External ID CHEMBL494580 External Source CHEMBL
PubChem CID 44593560 Functional Category Bioactive
Molecule Name (1S,3R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(oxetan-3-ylamino)-1-propan-2-ylcyclopentane-1-carboxamide;2,2,2-trifluoroacetic acid
IUPAC Name (1S,3R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(oxetan-3-ylamino)-1-propan-2-ylcyclopentane-1-carboxamide;2,2,2-trifluoroacetic acid
Synonyms CHEBI:578048
InChi InChI=1S/C21H26F6N2O2.C2HF3O2/c1-12(2)19(4-3-16(8-19)29-17-10-31-11-17)18(30)28-9-13-5-14(20(22,23)24)7-15(6-13)21(25,26)27;3-2(4,5)1(6)7/h5-7,12,16-17,29H,3-4,8-11H2,1-2H3,(H,28,30);(H,6,7)/t16-,19+;/m1./s1
InChiKey RAAAWKNIGOGHTK-VWJDFLIZSA-N
Formula C23H27F9N2O4 Molecular Weight 566.46
Cross Link CHEMBL494580
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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