CFam Chemical Families Database
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You are searching for "CFAMM00309924" in compound.

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CFAM Mol ID CFAMM00309924
Family CFFBM294 Substance-K receptor and Substance-P receptor ligand N-[4-[[4-[[2-[(2R)-2-(3,4-dichlorophenyl)-4-(3,5-dimethylbenzoyl)piperazin-1-yl]-2-oxoethyl]amino]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide family
Superfamily CFSBM182 Prothrombin and Cationic trypsin Binder Superfamily
Class CFCBM71 Class 3121
External ID CHEMBL107469 External Source CHEMBL
PubChem CID 44337354 Functional Category Bioactive
Molecule Name N-[4-[[4-[[2-[(2R)-2-(3,4-dichlorophenyl)-4-(3,5-dimethylbenzoyl)piperazin-1-yl]-2-oxoethyl]amino]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
IUPAC Name N-[4-[[4-[[2-[(2R)-2-(3,4-dichlorophenyl)-4-(3,5-dimethylbenzoyl)piperazin-1-yl]-2-oxoethyl]amino]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
Synonyms CHEBI:276499
InChi InChI=1S/C32H38Cl2N6O3S/c1-20-12-21(2)14-24(13-20)31(43)39-10-11-40(29(18-39)23-4-5-27(33)28(34)15-23)30(42)16-35-25-6-8-38(9-7-25)17-26-19-44-32(37-26)36-22(3)41/h4-5,12-15,19,25,29,35H,6-11,16-18H2,1-3H3,(H,36,37,41)/t29-/m0/s1
InChiKey PTIYKSDBVLRZAO-LJAQVGFWSA-N
Formula C32H38Cl2N6O3S Molecular Weight 657.65
Cross Link CHEMBL107469
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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