CFam Chemical Families Database
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You are searching for "CFAMM00447693" in compound.

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Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

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CFAM Mol ID CFAMM00447693
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 CHEMBL578899 External Source CHEMBL
PubChem CID 46233327 Functional Category Bioactive
Molecule Name (4S)-5-(4-butoxycarbonylpiperazin-1-yl)-4-[[4-(1-methoxycarbonylpiperidin-4-yl)oxy-6-phenylpyridine-2-carbonyl]amino]-5-oxopentanoic acid
IUPAC Name (4S)-5-(4-butoxycarbonylpiperazin-1-yl)-4-[[4-(1-methoxycarbonylpiperidin-4-yl)oxy-6-phenylpyridine-2-carbonyl]amino]-5-oxopentanoic acid
Synonyms CHEBI:703783
InChi InChI=1S/C33H43N5O9/c1-3-4-20-46-33(44)38-18-16-36(17-19-38)31(42)26(10-11-29(39)40)35-30(41)28-22-25(21-27(34-28)23-8-6-5-7-9-23)47-24-12-14-37(15-13-24)32(43)45-2/h5-9,21-22,24,26H,3-4,10-20H2,1-2H3,(H,35,41)(H,39,40)/t26-/m0/s1
InChiKey KSUOIWQUSPAVBE-SANMLTNESA-N
Formula C33H43N5O9 Molecular Weight 653.72
Cross Link CHEMBL578899
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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