CFam Chemical Families Database
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You are searching for "CFAMM00447738" in compound.

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CFAM Mol ID CFAMM00447738
Family CFFBM18494 P2Y purinoceptor 12 inhibitor (4S)-4-[[4-[(1-acetylpiperidin-4-yl)methoxy]-6-phenylpyridine-2-carbonyl]amino]-5-(4-butoxycarbonylpiperazin-1-yl)-5-oxopentanoic acid family
Superfamily CFSBM6134 P2Y purinoceptor 12 and C-C chemokine receptor type 5 Binder Superfamily
Class CFCCD105 Class 918
External ID CHEMBL578324 External Source CHEMBL
PubChem CID 45141133 Functional Category Bioactive
Molecule Name (4S)-4-[[4-(4-ethoxypiperidine-1-carbonyl)oxy-6-phenylpyridine-2-carbonyl]amino]-5-oxo-5-(4-pentoxycarbonylpiperazin-1-yl)pentanoic acid
IUPAC Name (4S)-4-[[4-(4-ethoxypiperidine-1-carbonyl)oxy-6-phenylpyridine-2-carbonyl]amino]-5-oxo-5-(4-pentoxycarbonylpiperazin-1-yl)pentanoic acid
Synonyms CHEBI:703776
InChi InChI=1S/C35H47N5O9/c1-3-5-9-22-48-34(45)40-20-18-38(19-21-40)33(44)28(12-13-31(41)42)37-32(43)30-24-27(23-29(36-30)25-10-7-6-8-11-25)49-35(46)39-16-14-26(15-17-39)47-4-2/h6-8,10-11,23-24,26,28H,3-5,9,12-22H2,1-2H3,(H,37,43)(H,41,42)/t28-/m0/s1
InChiKey CKHLCTGRGOBIOE-NDEPHWFRSA-N
Formula C35H47N5O9 Molecular Weight 681.78
Cross Link CHEMBL578324
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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