CFam Chemical Families Database
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You are searching for "CFAMM00112404" 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 CFAMM00112404
Family CFFAD904 Epidermal growth factor receptor and Receptor tyrosine-protein kinase erbB-2 Inhibitor Tyverb/tykerb Family
Superfamily CFSAD761 Epidermal growth factor receptor and Receptor tyrosine-protein kinase erbB-2 Inhibitor Tyverb/tykerb Superfamily
Class CFCAD678 Class 678
External ID CHEMBL68146 External Source CHEMBL
PubChem CID 44308081 Functional Category Bioactive
Molecule Name SureCN1473165
IUPAC Name 4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-amine
Synonyms CHEBI:206261
InChi InChI=1S/C25H26N6O3/c1-32-15-19-9-6-12-31(19)25-29-23(17-7-4-3-5-8-17)28-24(30-25)27-18-10-11-20(21(13-18)33-2)22-14-26-16-34-22/h3-5,7-8,10-11,13-14,16,19H,6,9,12,15H2,1-2H3,(H,27,28,29,30)/t19-/m0/s1
InChiKey DLUXLGAGLYHWNM-IBGZPJMESA-N
Formula C25H26N6O3 Molecular Weight 458.51
Cross Link CHEMBL68146
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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