CFam Chemical Families Database
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You are searching for "CFAMM00448008" 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 CFAMM00448008
Family CFFBM18548 B2 bradykinin receptor and Cytochrome P450 3A4 ligand SureCN1565000 family
Superfamily CFSCD718 Fibroblast growth factor receptor Binder Superfamily
Class CFCCD509 Class 1322
External ID CHEMBL559565 External Source CHEMBL
PubChem CID 44190263 Functional Category Bioactive
Molecule Name SureCN13145530
IUPAC Name N-[[4-methyl-3-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]pyridin-2-yl]methyl]cyclohexanecarboxamide
Synonyms AGN-PC-0729OG;CHEBI:657819;N-[[4-methyl-3-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]pyridin-2-yl]methyl]cyclohexanecarboxamide
InChi InChI=1S/C29H33N5O2/c1-19-12-14-30-25(17-31-29(35)21-8-5-4-6-9-21)24(19)18-36-27-11-7-10-22-23(16-20(2)33-28(22)27)26-13-15-32-34(26)3/h7,10-16,21H,4-6,8-9,17-18H2,1-3H3,(H,31,35)
InChiKey QUNIRDORWCGMDO-UHFFFAOYSA-N
Formula C29H33N5O2 Molecular Weight 483.60
Cross Link CHEMBL559565
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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