CFam Chemical Families Database
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You are searching for "CFAMM00320166" in compound.

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CFAM Mol ID CFAMM00320166
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 CHEMBL170933 External Source CHEMBL
PubChem CID 44381344 Functional Category Bioactive
Molecule Name (2R)-2-[[(4S)-4-carboxy-4-[[4-[(2,7-dimethyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-2-fluorobenzoyl]amino]butanoyl]amino]pentanedioic acid;2,2,2-trifluoroacetic acid
IUPAC Name (2R)-2-[[(4S)-4-carboxy-4-[[4-[(2,7-dimethyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-2-fluorobenzoyl]amino]butanoyl]amino]pentanedioic acid;2,2,2-trifluoroacetic acid
Synonyms CHEBI:382099
InChi InChI=1S/C31H32FN5O9.C2HF3O2/c1-4-11-37(15-18-13-21-25(12-16(18)2)33-17(3)34-29(21)42)19-5-6-20(22(32)14-19)28(41)36-24(31(45)46)7-9-26(38)35-23(30(43)44)8-10-27(39)40;3-2(4,5)1(6)7/h1,5-6,12-14,23-24H,7-11,15H2,2-3H3,(H,35,38)(H,36,41)(H,39,40)(H,43,44)(H,45,46)(H,33,34,42);(H,6,7)/t23-,24+;/m1./s1
Formula C31H32FN5O9.C2HF3O2 Molecular Weight 751.64
Cross Link CHEMBL170933

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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