CFam Chemical Families Database
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You are searching for "CFAMM00485277" in compound.

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CFAM Mol ID CFAMM00485277
Family CFFBM28276 Stromelysin-1 and Interstitial collagenase inhibitor 1-[(2S)-1-oxo-3-(2,3,4,5,6-pentafluorophenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-3-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)urea family
Superfamily CFSBM5330 Dipeptidyl peptidase 4 and Sterol O-acyltransferase 1 Binder Superfamily
Class CFCCD490 Class 1303
External ID CHEMBL39580 External Source CHEMBL
PubChem CID 44285620 Functional Category Bioactive
Molecule Name 1-[(2S)-1-oxo-3-phenyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-3-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)urea
IUPAC Name 1-[(2S)-1-oxo-3-phenyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-3-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)urea
Synonyms CHEBI:156185
InChi InChI=1S/C20H22N8O2S2/c29-16(27-9-11-28(12-10-27)17-21-7-4-8-22-17)15(13-14-5-2-1-3-6-14)23-18(30)24-19-25-26-20(31)32-19/h1-8,15H,9-13H2,(H,26,31)(H2,23,24,25,30)/t15-/m0/s1
InChiKey HRPDZLPODXSSSP-HNNXBMFYSA-N
Formula C20H22N8O2S2 Molecular Weight 470.57
Cross Link CHEMBL39580
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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