CFam Chemical Families Database
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You are searching for "CFAMM00449382" in compound.

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CFAM Mol ID CFAMM00449382
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 CHEMBL591712 External Source CHEMBL
PubChem CID 46233234 Functional Category Bioactive
Molecule Name pentyl 4-[(2S)-5-[(2-methylpropan-2-yl)oxy]-5-oxo-2-[[6-phenyl-4-(piperidin-4-ylmethylcarbamoylamino)pyridine-2-carbonyl]amino]pentanoyl]piperazine-1-carboxylate
IUPAC Name pentyl 4-[(2S)-5-[(2-methylpropan-2-yl)oxy]-5-oxo-2-[[6-phenyl-4-(piperidin-4-ylmethylcarbamoylamino)pyridine-2-carbonyl]amino]pentanoyl]piperazine-1-carboxylate
Synonyms CHEBI:703610
InChi InChI=1S/C38H55N7O7/c1-5-6-10-23-51-37(50)45-21-19-44(20-22-45)35(48)30(13-14-33(46)52-38(2,3)4)43-34(47)32-25-29(24-31(42-32)28-11-8-7-9-12-28)41-36(49)40-26-27-15-17-39-18-16-27/h7-9,11-12,24-25,27,30,39H,5-6,10,13-23,26H2,1-4H3,(H,43,47)(H2,40,41,42,49)/t30-/m0/s1
InChiKey PODCOWUPDXKSIP-PMERELPUSA-N
Formula C38H55N7O7 Molecular Weight 721.89
Cross Link CHEMBL591712
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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