CFam Chemical Families Database
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You are searching for "CFAMM00308299" in compound.

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CFAM Mol ID CFAMM00308299
Family CFFBM164 Thymidylate synthase inhibitor AC1LABAB family
Superfamily CFSBM78 Thymidylate synthase Binder Superfamily
Class CFCCD440 Class 1253
External ID CHEMBL339022 External Source CHEMBL
PubChem CID 484913 Functional Category Bioactive
Molecule Name AC1LAB8N
IUPAC Name 2-[[4-[(2,7-dimethyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-2-fluorobenzoyl]amino]-6-[(3-nitrophenyl)sulfonylamino]-6-oxohexanoic acid
Synonyms CHEBI:307189;2-[(1-{[(2,7-Dimethyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-fluoro-phenyl}-methanoyl)-amino]-6-(3-nitro-benzenesulfonylamino)-6-oxo-hexanoic acid;2-[[4-[(2,7-dimethyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-2-fluorobenzoyl]amino]-6-[(3-nitrophenyl)sulfonylamino]-6-oxohexanoic acid
InChi InChI=1S/C33H31FN6O9S/c1-4-13-39(18-21-15-26-29(14-19(21)2)35-20(3)36-32(26)43)22-11-12-25(27(34)17-22)31(42)37-28(33(44)45)9-6-10-30(41)38-50(48,49)24-8-5-7-23(16-24)40(46)47/h1,5,7-8,11-12,14-17,28H,6,9-10,13,18H2,2-3H3,(H,37,42)(H,38,41)(H,44,45)(H,35,36,43)
Formula C33H31FN6O9S Molecular Weight 706.70
Cross Link CHEMBL339022

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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