CFam Chemical Families Database
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You are searching for "CFAMM00308300" in compound.

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CFAM Mol ID CFAMM00308300
Family CFFBM164 Thymidylate synthase inhibitor AC1LABAB family
Superfamily CFSBM78 Thymidylate synthase Binder Superfamily
Class CFCCD440 Class 1253
External ID CHEMBL126914 External Source CHEMBL
PubChem CID 484922 Functional Category Bioactive
Molecule Name AC1LAB9E
IUPAC Name 2-[[4-[(2,7-dimethyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-2-fluorobenzoyl]amino]-3-(2H-triazol-4-ylsulfinyl)propanoic acid
Synonyms CHEBI:307403;2-[(1-{[(2,7-Dimethyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-fluoro-phenyl}-methanoyl)-amino]-3-(3H-[1,2,3]triazole-4-sulfinyl)-propionic acid;2-[[4-[(2,7-dimethyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-2-fluorobenzoyl]amino]-3-(2H-triazol-4-ylsulfinyl)propanoic acid
InChi InChI=1S/C26H24FN7O5S/c1-4-7-34(12-16-9-19-21(8-14(16)2)29-15(3)30-25(19)36)17-5-6-18(20(27)10-17)24(35)31-22(26(37)38)13-40(39)23-11-28-33-32-23/h1,5-6,8-11,22H,7,12-13H2,2-3H3,(H,31,35)(H,37,38)(H,28,32,33)(H,29,30,36)
Formula C26H24FN7O5S Molecular Weight 565.58
Cross Link CHEMBL126914

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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