CFam Chemical Families Database
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You are searching for "CFAMM00403812" in compound.

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CFAM Mol ID CFAMM00403812
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 CHEMBL2048910 External Source CHEMBL
PubChem CID 57413597 Functional Category Bioactive
Molecule Name N-[2-[4-[4-(1,2-benzothiazol-4-yloxy)-3-chloroanilino]pyrrolo[3,2-d]pyrimidin-5-yl]ethyl]-2,2-dimethylpropanamide;methanesulfonic acid
IUPAC Name N-[2-[4-[4-(1,2-benzothiazol-4-yloxy)-3-chloroanilino]pyrrolo[3,2-d]pyrimidin-5-yl]ethyl]-2,2-dimethylpropanamide;methanesulfonic acid
Synonyms AGN-PC-0BSX6A;N-[2-[4-[4-(1,2-benzothiazol-4-yloxy)-3-chloroanilino]pyrrolo[3,2-d]pyrimidin-5-yl]ethyl]-2,2-dimethylpropanamide;methanesulfonic acid
InChi InChI=1S/C26H25ClN6O2S.CH4O3S/c1-26(2,3)25(34)28-10-12-33-11-9-19-23(33)24(30-15-29-19)32-16-7-8-21(18(27)13-16)35-20-5-4-6-22-17(20)14-31-36-22;1-5(2,3)4/h4-9,11,13-15H,10,12H2,1-3H3,(H,28,34)(H,29,30,32);1H3,(H,2,3,4)
Formula C27H29ClN6O5S2 Molecular Weight 617.14
Cross Link CHEMBL2048910

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).

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