CFam Chemical Families Database
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You are searching for "CFAMM00103478" in compound.

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CFAM Mol ID CFAMM00103478
Family CFFAD816 Thymidylate synthase Inhibitor Leucovorin/5-fluorouracil Family
Superfamily CFSAD682 Thymidylate synthase Inhibitor Leucovorin/5-fluorouracil Superfamily
Class CFCAD617 Class 617
External ID CHEMBL102317 External Source CHEMBL
PubChem CID 14256540 Functional Category Bioactive
Molecule Name (2S)-2-[[4-[(4-oxo-2-propan-2-yl-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]pentanedioic acid
IUPAC Name (2S)-2-[[4-[(4-oxo-2-propan-2-yl-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]pentanedioic acid
Synonyms CHEBI:270363
InChi InChI=1S/C27H28N4O6/c1-4-13-31(15-17-5-10-21-20(14-17)26(35)30-24(28-21)16(2)3)19-8-6-18(7-9-19)25(34)29-22(27(36)37)11-12-23(32)33/h1,5-10,14,16,22H,11-13,15H2,2-3H3,(H,29,34)(H,32,33)(H,36,37)(H,28,30,35)/t22-/m0/s1
InChiKey YYQFIQLTWZLQIO-QFIPXVFZSA-N
Formula C27H28N4O6 Molecular Weight 504.53
Cross Link CHEMBL102317
Structure

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).
 

Last update by

 
2014.08.29
 

 

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Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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