CFam Chemical Families Database
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You are searching for "CFAMM00403817" 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 CFAMM00403817
Family CFFBM10703 Receptor tyrosine-protein kinase erbB-2 and Epidermal growth factor receptor ligand N-[2-[4-[4-(1,2-benzothiazol-4-yloxy)-3-chloroanilino]pyrrolo[3,2-d]pyrimidin-5-yl]ethyl]acetamide family
Superfamily CFSAD523 Epidermal growth factor receptor and Receptor tyrosine-protein kinase erbB-2 Inhibitor Lapatinib Superfamily
Class CFCAD481 Class 481
External ID CHEMBL2048907 External Source CHEMBL
PubChem CID 57413595 Functional Category Bioactive
Molecule Name N-[2-[4-[4-(1,2-benzothiazol-4-yloxy)-3-chloroanilino]pyrrolo[3,2-d]pyrimidin-5-yl]ethyl]-2-hydroxy-2-methylpropanamide;methanesulfonic acid
IUPAC Name N-[2-[4-[4-(1,2-benzothiazol-4-yloxy)-3-chloroanilino]pyrrolo[3,2-d]pyrimidin-5-yl]ethyl]-2-hydroxy-2-methylpropanamide;methanesulfonic acid
Synonyms AGN-PC-0BSX68;N-[2-[4-[4-(1,2-benzothiazol-4-yloxy)-3-chloroanilino]pyrrolo[3,2-d]pyrimidin-5-yl]ethyl]-2-hydroxy-2-methylpropanamide;methanesulfonic acid
InChi InChI=1S/C25H23ClN6O3S.CH4O3S/c1-25(2,34)24(33)27-9-11-32-10-8-18-22(32)23(29-14-28-18)31-15-6-7-20(17(26)12-15)35-19-4-3-5-21-16(19)13-30-36-21;1-5(2,3)4/h3-8,10,12-14,34H,9,11H2,1-2H3,(H,27,33)(H,28,29,31);1H3,(H,2,3,4)
InChiKey QOKRWXHTPQROBS-UHFFFAOYSA-N
Formula C26H27ClN6O6S2 Molecular Weight 619.11
Cross Link CHEMBL2048907
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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