CFam Chemical Families Database
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You are searching for "CFAMM00103473" in compound.

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CFAM Mol ID CFAMM00103473
Family CFFAD816 Thymidylate synthase Inhibitor Leucovorin/5-fluorouracil Family
Superfamily CFSAD682 Thymidylate synthase Inhibitor Leucovorin/5-fluorouracil Superfamily
Class CFCAD617 Class 617
External ID CHEMBL434209 External Source CHEMBL
PubChem CID 121955 Functional Category Bioactive
Molecule Name ICI 198583
IUPAC Name (2S)-2-[[4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]pentanedioic acid
Synonyms CB 3819;BRN 4240992;2-Desamino-2-methyl-10-propagyl-5,8-dideazofolic acid;ICI-198583;112887-62-4;L-Glutamic acid, N-(4-(((1,4-dihydro-2-methyl-4-oxo-6-quinazolinyl)methyl)-2-propynylamino)benzoyl)-;2-deamino-PDDF;AC1L3TPY;CHEBI:161631
InChi InChI=1S/C25H24N4O6/c1-3-12-29(14-16-4-9-20-19(13-16)24(33)27-15(2)26-20)18-7-5-17(6-8-18)23(32)28-21(25(34)35)10-11-22(30)31/h1,4-9,13,21H,10-12,14H2,2H3,(H,28,32)(H,30,31)(H,34,35)(H,26,27,33)/t21-/m0/s1
InChiKey PMTUUSDTAKQWQJ-NRFANRHFSA-N
Formula C25H24N4O6 Molecular Weight 476.48
Cross Link CHEMBL434209
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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Professor in Department of Pharmacy
National University of Singapore, Singapore


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