CFam Chemical Families Database
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You are searching for "CFAMM00485275" in compound.

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CFAM Mol ID CFAMM00485275
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 CHEMBL38900 External Source CHEMBL
PubChem CID 9915804 Functional Category Bioactive
Molecule Name 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
IUPAC Name 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
Synonyms CHEBI:156426
InChi InChI=1S/C21H18F5N7O2S2/c22-13-10(14(23)16(25)17(26)15(13)24)9-11(28-19(35)29-20-30-31-21(36)37-20)18(34)33-7-5-32(6-8-33)12-3-1-2-4-27-12/h1-4,11H,5-9H2,(H,31,36)(H2,28,29,30,35)/t11-/m0/s1
InChiKey OHBSIIOTSUMCLG-NSHDSACASA-N
Formula C21H18F5N7O2S2 Molecular Weight 559.54
Cross Link CHEMBL38900
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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