CFam Chemical Families Database
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You are searching for "CFAMM00403954" in compound.

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CFAM Mol ID CFAMM00403954
Family CFFBM10726 Bifunctional dihydrofolate reductase-thymidylate synthase and Dihydrofolate reductase inhibitor 2,4-DIAMINO-5-METHYL-6-[(3,4,5-TRIMETHOXY-N-METHYLANILINO)METHYL]PYRIDO[2,3-D]PYRIMIDINE family
Superfamily CFSBM1881 Dihydrofolate reductase and Bifunctional dihydrofolate reductase-thymidylate synthase Binder Superfamily 4
Class CFCCD331 Class 1144
External ID CHEMBL206927 External Source CHEMBL
PubChem CID 44411123 Functional Category Bioactive
Molecule Name SureCN12529128
IUPAC Name methyl 2-[[6-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]pyridine-2-carbonyl]amino]acetate
Synonyms AGN-PC-0761TV;CHEBI:446994;methyl 2-[[6-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]pyridine-2-carbonyl]amino]acetate
InChi InChI=1S/C24H24N6O6/c1-33-17-10-15(11-18(34-2)21(17)36-4)27-24-26-12-14-8-9-30(22(14)29-24)19-7-5-6-16(28-19)23(32)25-13-20(31)35-3/h5-12H,13H2,1-4H3,(H,25,32)(H,26,27,29)
InChiKey XONBZWAFRNHYQF-UHFFFAOYSA-N
Formula C24H24N6O6 Molecular Weight 492.48
Cross Link CHEMBL206927
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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