CFam Chemical Families Database
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You are searching for "CFAMM00320109" in compound.

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CFAM Mol ID CFAMM00320109
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 CHEMBL163990 External Source CHEMBL
PubChem CID 10603057 Functional Category Bioactive
Molecule Name 4-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]-4-oxo-1H-quinazolin-6-yl]methyl-prop-2-ynylamino]-N-[(3-nitrophenyl)methyl]benzamide
IUPAC Name 4-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]-4-oxo-1H-quinazolin-6-yl]methyl-prop-2-ynylamino]-N-[(3-nitrophenyl)methyl]benzamide
Synonyms CHEBI:368103
InChi InChI=1S/C31H30N6O5/c1-2-13-36(24-9-7-23(8-10-24)30(39)32-17-21-4-3-5-25(15-21)37(41)42)18-22-6-11-28-27(16-22)31(40)34-29(33-28)20-35-14-12-26(38)19-35/h1,3-11,15-16,26,38H,12-14,17-20H2,(H,32,39)(H,33,34,40)
Formula C31H30N6O5 Molecular Weight 566.61
Cross Link CHEMBL163990

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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