CFam Chemical Families Database
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You are searching for "CFAMM00232587" 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.

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CFAM Mol ID CFAMM00232587
Family CFFID1220 Integrin beta-3 Inhibitor Elarofiban Family
Superfamily CFSID985 Integrin beta-3 Inhibitor Elarofiban Superfamily
Class CFCAD134 Class 134
External ID CHEMBL345276 External Source CHEMBL
PubChem CID 10839864 Functional Category Bioactive
Molecule Name 2-cyclohexylethyl (3S)-3-[[(3R)-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]-3-pyridin-3-ylpropanoate
IUPAC Name 2-cyclohexylethyl (3S)-3-[[(3R)-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]-3-pyridin-3-ylpropanoate
Synonyms CHEBI:349877
InChi InChI=1S/C30H46N4O4/c35-28(11-10-24-12-16-31-17-13-24)34-18-5-9-26(22-34)30(37)33-27(25-8-4-15-32-21-25)20-29(36)38-19-14-23-6-2-1-3-7-23/h4,8,15,21,23-24,26-27,31H,1-3,5-7,9-14,16-20,22H2,(H,33,37)/t26-,27+/m1/s1
InChiKey MFGHNUHLUBBJOD-SXOMAYOGSA-N
Formula C30H46N4O4 Molecular Weight 526.71
Cross Link CHEMBL345276
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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