CFam Chemical Families Database
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You are searching for "CFAMM00415318" in compound.

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CFAM Mol ID CFAMM00415318
Family CFFBM12375 C-C chemokine receptor type 2 ligand N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-[2-(methylcarbamoylamino)-1,3-thiazol-4-yl]-4-(4-phenylpiperidin-1-yl)butanamide family
Superfamily CFSBM5745 C-C chemokine receptor type 2 and Transient receptor potential cation channel subfamily M member 8 Binder Superfamily
Class CFCCD444 Class 1257
External ID CHEMBL397750 External Source CHEMBL
PubChem CID 44425286 Functional Category Bioactive
Molecule Name tert-butyl N-[4-[(2S)-1-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-1-oxo-4-(4-phenylpiperidin-1-yl)butan-2-yl]-1,3-thiazol-2-yl]carbamate
IUPAC Name tert-butyl N-[4-[(2S)-1-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-1-oxo-4-(4-phenylpiperidin-1-yl)butan-2-yl]-1,3-thiazol-2-yl]carbamate
Synonyms CHEBI:483234
InChi InChI=1S/C32H36F6N4O3S/c1-30(2,3)45-29(44)41-28-40-26(19-46-28)25(11-14-42-12-9-22(10-13-42)21-7-5-4-6-8-21)27(43)39-18-20-15-23(31(33,34)35)17-24(16-20)32(36,37)38/h4-8,15-17,19,22,25H,9-14,18H2,1-3H3,(H,39,43)(H,40,41,44)/t25-/m0/s1
InChiKey PQJGXJKQGVLLQQ-VWLOTQADSA-N
Formula C32H36F6N4O3S Molecular Weight 670.71
Cross Link CHEMBL397750
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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