CFam Chemical Families Database
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You are searching for "CFAMM00069345" in compound.

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CFAM Mol ID CFAMM00069345
Family CFFAD479 Epidermal growth factor receptor Ligand Gefitinib Family
Superfamily CFSAD416 Epidermal growth factor receptor Ligand Gefitinib Superfamily
Class CFCAD386 Class 386
External ID CHEMBL427212 External Source CHEMBL
PubChem CID 5494424 Functional Category Bioactive
Molecule Name HPM
IUPAC Name N-[5-[[7-[(2S)-2-hydroxy-3-piperidin-1-ylpropoxy]-6-methoxyquinazolin-4-yl]amino]pyrimidin-2-yl]benzamide
Synonyms AC1NUV3I;SureCN5653735;CHEBI:441442;N-[5-[[7-[(2S)-2-hydroxy-3-piperidin-1-ylpropoxy]-6-methoxyquinazolin-4-yl]amino]pyrimidin-2-yl]benzamide;N-{5-[(7-{[(2S)-2-HYDROXY-3-PIPERIDIN-1-YLPROPYL]OXY}-6-METHOXYQUINAZOLIN-4-YL)AMINO]PYRIMIDIN-2-YL}BENZAMIDE
InChi InChI=1S/C28H31N7O4/c1-38-24-12-22-23(13-25(24)39-17-21(36)16-35-10-6-3-7-11-35)31-18-32-26(22)33-20-14-29-28(30-15-20)34-27(37)19-8-4-2-5-9-19/h2,4-5,8-9,12-15,18,21,36H,3,6-7,10-11,16-17H2,1H3,(H,31,32,33)(H,29,30,34,37)/t21-/m0/s1
InChiKey WHHFZOIADLFZRX-NRFANRHFSA-N
Formula C28H31N7O4 Molecular Weight 529.59
Cross Link CHEMBL427212
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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