CFam Chemical Families Database
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You are searching for "CFAMM00308298" in compound.

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CFAM Mol ID CFAMM00308298
Family CFFBM164 Thymidylate synthase inhibitor AC1LABAB family
Superfamily CFSBM78 Thymidylate synthase Binder Superfamily
Class CFCCD440 Class 1253
External ID CHEMBL127583 External Source CHEMBL
PubChem CID 484929 Functional Category Bioactive
Molecule Name AC1LAB9Z
IUPAC Name (2S)-2-[[4-[(2,7-dimethyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-2-fluorobenzoyl]amino]-5-[(5-oxo-1,2-dihydro-1,2,4-triazol-3-yl)sulfanyl]pentanoic acid
Synonyms CHEBI:307350;(2S)-2-[[4-[(2,7-dimethyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-2-fluorobenzoyl]amino]-5-[(5-oxo-1,2-dihydro-1,2,4-triazol-3-yl)sulfanyl]pentanoic acid;(S)-2-[(1-{[(2,7-Dimethyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-fluoro-phenyl}-methanoyl)-amino]-5-(5-oxo-4,5-dihydro-1H-[1,2,4]triazol-3-ylsulfanyl)-pentanoic acid
InChi InChI=1S/C28H28FN7O5S/c1-4-9-36(14-17-12-20-23(11-15(17)2)30-16(3)31-25(20)38)18-7-8-19(21(29)13-18)24(37)32-22(26(39)40)6-5-10-42-28-33-27(41)34-35-28/h1,7-8,11-13,22H,5-6,9-10,14H2,2-3H3,(H,32,37)(H,39,40)(H,30,31,38)(H2,33,34,35,41)/t22-/m0/s1
Formula C28H28FN7O5S Molecular Weight 593.63
Cross Link CHEMBL127583

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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