CFam Chemical Families Database
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You are searching for "CFAMM00432529" 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 CFAMM00432529
Family CFFBM15144 Leukotriene B4 receptor 1 and Leukotriene B4 receptor 2 ligand SureCN7976023 family
Superfamily CFSBM4875 Leukotriene B4 receptor 1 and Leukotriene B4 receptor 2 Binder Superfamily 6
Class CFCBM1042 Class 4092
External ID CHEMBL367136 External Source CHEMBL
PubChem CID 6479777 Functional Category Bioactive
Molecule Name AC1O58GR
IUPAC Name 2-[(5Z)-4-oxo-5-[[4-(2-phenylethoxy)-3-(1-phenylpropoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Synonyms CHEBI:406450;2-[(5Z)-4-oxo-5-[[4-phenethyloxy-3-(1-phenylpropoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid;3-Thiazolidineacetic acid, 4-oxo-5-[[4-(2-phenylethoxy)-3-(1-phenylpropoxy)phenyl]methylene]-2-thioxo-, (5Z)-
InChi InChI=1S/C29H27NO5S2/c1-2-23(22-11-7-4-8-12-22)35-25-17-21(18-26-28(33)30(19-27(31)32)29(36)37-26)13-14-24(25)34-16-15-20-9-5-3-6-10-20/h3-14,17-18,23H,2,15-16,19H2,1H3,(H,31,32)/b26-18-
InChiKey CMJYKZXPTDZKBJ-ITYLOYPMSA-N
Formula C29H27NO5S2 Molecular Weight 533.66
Cross Link CHEMBL367136
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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