CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00449393" in compound.

Total 1 results found.

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

Search Results

CFAM Mol ID CFAMM00449393
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 CHEMBL592407 External Source CHEMBL
PubChem CID 46233238 Functional Category Bioactive
Molecule Name pentyl 4-[(2S)-2-[[4-[(4-methoxypiperidine-1-carbonyl)amino]-6-phenylpyridine-2-carbonyl]amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]piperazine-1-carboxylate
IUPAC Name pentyl 4-[(2S)-2-[[4-[(4-methoxypiperidine-1-carbonyl)amino]-6-phenylpyridine-2-carbonyl]amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]piperazine-1-carboxylate
Synonyms CHEBI:703614
InChi InChI=1S/C38H54N6O8/c1-6-7-11-24-51-37(49)44-22-20-42(21-23-44)35(47)30(14-15-33(45)52-38(2,3)4)41-34(46)32-26-28(25-31(40-32)27-12-9-8-10-13-27)39-36(48)43-18-16-29(50-5)17-19-43/h8-10,12-13,25-26,29-30H,6-7,11,14-24H2,1-5H3,(H,41,46)(H,39,40,48)/t30-/m0/s1
Formula C38H54N6O8 Molecular Weight 722.87
Cross Link CHEMBL592407

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



82362 visits since 2014 .........


Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore

All rights reserved.

Computer-aided Drug Design
about BIDD |  databases |  software |  teaching |  research |  links


Department of Computational Science | National University of Singapore | Blk S17, 3 Science Drive 2, Singapore 117543

hdnkeywordtype:MiniFieldStorage('hdnkeywordtype', 'compound'),None, hdnkeywordtype, compound|txtsearch:MiniFieldStorage('txtsearch', 'CFAMM00449393'),None, txtsearch, CFAMM00449393|