CFam Chemical Families Database
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You are searching for "CFAMM00103553" in compound.

Total 1 results found.

Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

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CFAM Mol ID CFAMM00103553
Family CFFAD816 Thymidylate synthase Inhibitor Leucovorin/5-fluorouracil Family
Superfamily CFSAD682 Thymidylate synthase Inhibitor Leucovorin/5-fluorouracil Superfamily
Class CFCAD617 Class 617
External ID CHEMBL101425 External Source CHEMBL
PubChem CID 14730614 Functional Category Bioactive
Molecule Name SureCN9556287
IUPAC Name (2S)-2-[[4-[ethyl-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl]amino]-2-nitrobenzoyl]amino]pentanedioic acid
Synonyms CHEBI:271499
InChi InChI=1S/C24H25N5O8/c1-3-28(12-14-4-7-18-17(10-14)23(33)26-13(2)25-18)15-5-6-16(20(11-15)29(36)37)22(32)27-19(24(34)35)8-9-21(30)31/h4-7,10-11,19H,3,8-9,12H2,1-2H3,(H,27,32)(H,30,31)(H,34,35)(H,25,26,33)/t19-/m0/s1
InChiKey XODXQIXRGUGXOD-IBGZPJMESA-N
Formula C24H25N5O8 Molecular Weight 511.48
Cross Link CHEMBL101425
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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Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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