CFam Chemical Families Database
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You are searching for "CFAMM00234443" 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 CFAMM00234443
Family CFFID1288 Leukotriene B4 receptor 1 Ligand SB-201993 Family
Superfamily CFSID1029 Leukotriene B4 receptor 1 Binder Superfamily
Class CFCID702 Class 2052
External ID CHEMBL115658 External Source CHEMBL
PubChem CID 10050724 Functional Category Bioactive
Molecule Name 3-[[6-[(E)-2-carboxyethenyl]-5-(4-phenylbutoxy)pyridin-2-yl]methylsulfanylmethyl]benzoic acid
IUPAC Name 3-[[6-[(E)-2-carboxyethenyl]-5-(4-phenylbutoxy)pyridin-2-yl]methylsulfanylmethyl]benzoic acid
Synonyms CHEBI:285708
InChi InChI=1S/C27H27NO5S/c29-26(30)15-13-24-25(33-16-5-4-9-20-7-2-1-3-8-20)14-12-23(28-24)19-34-18-21-10-6-11-22(17-21)27(31)32/h1-3,6-8,10-15,17H,4-5,9,16,18-19H2,(H,29,30)(H,31,32)/b15-13+
InChiKey AYQLHLVAMFCCJH-FYWRMAATSA-N
Formula C27H27NO5S Molecular Weight 477.57
Cross Link CHEMBL115658
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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