CFam Chemical Families Database
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You are searching for "CFAMM00112415" 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 CFAMM00112415
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 CHEMBL101984 External Source CHEMBL
PubChem CID 10323922 Functional Category Bioactive
Molecule Name phenyl N-cyano-N'-[[3-[[N-cyano-N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamimidoyl]amino]phenyl]methyl]carbamimidate
IUPAC Name phenyl N-cyano-N'-[[3-[[N-cyano-N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamimidoyl]amino]phenyl]methyl]carbamimidate
Synonyms CHEBI:262510
InChi InChI=1S/C27H22N8O3/c1-36-24-13-21(10-11-23(24)25-15-30-18-37-25)35-26(32-16-28)34-20-7-5-6-19(12-20)14-31-27(33-17-29)38-22-8-3-2-4-9-22/h2-13,15,18H,14H2,1H3,(H,31,33)(H2,32,34,35)
InChiKey LSKFFIRDEWEEBM-UHFFFAOYSA-N
Formula C27H22N8O3 Molecular Weight 506.52
Cross Link CHEMBL101984
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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