CFam Chemical Families Database
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You are searching for "CFAMM00069653" in compound.

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CFAM Mol ID CFAMM00069653
Family CFFAD479 Epidermal growth factor receptor Ligand Gefitinib Family
Superfamily CFSAD416 Epidermal growth factor receptor Ligand Gefitinib Superfamily
Class CFCAD386 Class 386
External ID CHEMBL1650128 External Source CHEMBL
PubChem CID 50941272 Functional Category Bioactive
Molecule Name (6E)-4-fluoro-6-[4-[[(3S,4R)-4-(2-hydroxypropan-2-yl)pyrrolidin-3-yl]amino]-6-methoxy-7-(2-methoxyethoxy)-1H-quinazolin-2-ylidene]cyclohexa-2,4-dien-1-one
IUPAC Name (6E)-4-fluoro-6-[4-[[(3S,4R)-4-(2-hydroxypropan-2-yl)pyrrolidin-3-yl]amino]-6-methoxy-7-(2-methoxyethoxy)-1H-quinazolin-2-ylidene]cyclohexa-2,4-dien-1-one
Synonyms CHEBI:1161630
InChi InChI=1S/C25H31FN4O5/c1-25(2,32)17-12-27-13-19(17)29-23-15-10-21(34-4)22(35-8-7-33-3)11-18(15)28-24(30-23)16-9-14(26)5-6-20(16)31/h5-6,9-11,17,19,27,31-32H,7-8,12-13H2,1-4H3,(H,28,29,30)/t17-,19-/m1/s1
Formula C25H31FN4O5 Molecular Weight 486.54
Cross Link CHEMBL1650128

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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National University of Singapore, Singapore

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