CFam Chemical Families Database
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You are searching for "CFAMM00449388" in compound.

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CFAM Mol ID CFAMM00449388
Family CFFBM18844 P2Y purinoceptor 12 inhibitor pentyl 4-[(2S)-5-[(2-methylpropan-2-yl)oxy]-5-oxo-2-[[6-phenyl-4-(propan-2-ylcarbamoylamino)pyridine-2-carbonyl]amino]pentanoyl]piperazine-1-carboxylate family
Superfamily CFSBM7288 P2Y purinoceptor 12 Binder Superfamily 3
Class CFCAD639 Class 639
External ID CHEMBL599634 External Source CHEMBL
PubChem CID 46233224 Functional Category Bioactive
Molecule Name tert-butyl (4S)-5-oxo-5-[4-(pentylcarbamothioyl)piperazin-1-yl]-4-[(6-phenylpyridine-2-carbonyl)amino]pentanoate
IUPAC Name tert-butyl (4S)-5-oxo-5-[4-(pentylcarbamothioyl)piperazin-1-yl]-4-[(6-phenylpyridine-2-carbonyl)amino]pentanoate
Synonyms CHEBI:703600
InChi InChI=1S/C31H43N5O4S/c1-5-6-10-18-32-30(41)36-21-19-35(20-22-36)29(39)26(16-17-27(37)40-31(2,3)4)34-28(38)25-15-11-14-24(33-25)23-12-8-7-9-13-23/h7-9,11-15,26H,5-6,10,16-22H2,1-4H3,(H,32,41)(H,34,38)/t26-/m0/s1
InChiKey UNEIITDBBIWFPR-SANMLTNESA-N
Formula C31H43N5O4S Molecular Weight 581.77
Cross Link CHEMBL599634
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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