CFam Chemical Families Database
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You are searching for "CFAMM00218631" 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 CFAMM00218631
Family CFFID770 Epidermal growth factor receptor and Receptor tyrosine-protein kinase erbB-2 Inhibitor PD-168393 Family
Superfamily CFSID630 Epidermal growth factor receptor and Metabotropic glutamate receptor 5 Binder Superfamily
Class CFCAD202 Class 202
External ID 10164583 External Source PubChem
PubChem CID 10164583 Functional Category Patent Compound
Molecule Name
IUPAC Name 4-[bis(2-methoxyethyl)amino]-N-[4-(3-bromoanilino)quinazolin-6-yl]but-2-ynamide
Synonyms
InChi InChI=1S/C24H26BrN5O3/c1-32-13-11-30(12-14-33-2)10-4-7-23(31)28-20-8-9-22-21(16-20)24(27-17-26-22)29-19-6-3-5-18(25)15-19/h3,5-6,8-9,15-17H,10-14H2,1-2H3,(H,28,31)(H,26,27,29)
InChiKey QPSMJGVGKOLLSP-UHFFFAOYSA-N
Formula C24H26BrN5O3 Molecular Weight 512.40
Cross Link
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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