CFam Chemical Families Database
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You are searching for "CFAMM00320097" in compound.

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CFAM Mol ID CFAMM00320097
Family CFFBM1153 Thymidylate synthase inhibitor (2R)-2-[[(4S)-4-carboxy-4-[[4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]butanoyl]amino]pentanedioic acid family
Superfamily CFSBM78 Thymidylate synthase Binder Superfamily
Class CFCCD440 Class 1253
External ID CHEMBL112185 External Source CHEMBL
PubChem CID 44340406 Functional Category Bioactive
Molecule Name (2R)-5-[[(1R)-1-carboxyethyl]amino]-2-[[2-fluoro-4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]-5-oxopentanoic acid
IUPAC Name (2R)-5-[[(1R)-1-carboxyethyl]amino]-2-[[2-fluoro-4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]-5-oxopentanoic acid
Synonyms CHEBI:283727
InChi InChI=1S/C28H28FN5O7/c1-4-11-34(14-17-5-8-22-20(12-17)26(37)32-16(3)31-22)18-6-7-19(21(29)13-18)25(36)33-23(28(40)41)9-10-24(35)30-15(2)27(38)39/h1,5-8,12-13,15,23H,9-11,14H2,2-3H3,(H,30,35)(H,33,36)(H,38,39)(H,40,41)(H,31,32,37)/t15-,23-/m1/s1
Formula C28H28FN5O7 Molecular Weight 565.55
Cross Link CHEMBL112185

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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