CFam Chemical Families Database
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You are searching for "CFAMM00279189" 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 CFAMM00279189
Family CFFID2891 B2 bradykinin receptor Ligand FR-173657 Family
Superfamily CFSID2045 B2 bradykinin receptor Ligand FR-173657 Superfamily
Class CFCID664 Class 2014
External ID CHEMBL329701 External Source CHEMBL
PubChem CID 11433973 Functional Category Bioactive
Molecule Name SureCN6970102
IUPAC Name 5-[(E)-3-[[2-[2,4-dichloro-N-methyl-3-[[2-methyl-4-(pyridin-2-ylmethoxy)quinolin-8-yl]oxymethyl]anilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N-methylpyridine-2-carboxamide
Synonyms CHEBI:258512
InChi InChI=1S/C36H32Cl2N6O5/c1-22-17-31(48-20-24-7-4-5-16-40-24)25-8-6-9-30(35(25)43-22)49-21-26-27(37)12-14-29(34(26)38)44(3)33(46)19-42-32(45)15-11-23-10-13-28(41-18-23)36(47)39-2/h4-18H,19-21H2,1-3H3,(H,39,47)(H,42,45)/b15-11+
InChiKey PWSCYKKHTVJAMK-RVDMUPIBSA-N
Formula C36H32Cl2N6O5 Molecular Weight 699.58
Cross Link CHEMBL329701
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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