CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00103545" in compound.

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CFAM Mol ID CFAMM00103545
Family CFFAD816 Thymidylate synthase Inhibitor Leucovorin/5-fluorouracil Family
Superfamily CFSAD682 Thymidylate synthase Inhibitor Leucovorin/5-fluorouracil Superfamily
Class CFCAD617 Class 617
External ID DNC007311 External Source TTD
PubChem CID 1405 Functional Category Investigative Drug
Molecule Name PDDF
IUPAC Name 2-[[4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]pentanedioic acid
Synonyms CB 3717;ICI-155387;NSC-327182;76849-19-9;N(sup 10)-Propargyl-5,8-dideazafolic acid;CB-3717;n-(4-{[(2-amino-4-hydroxyquinazolin-6-yl)methyl](prop-2-yn-1-yl)amino}benzoyl)glutamic acid;L-Glutamic acid, N-(4-(((2-amino-1,4-dihydro-4-oxo-6-quinazolinyl)methyl)-2-propynylamino)benzoyl)-;N-(4-(((N-(2-Amino-4-hydroxy-6-quinazolinyl)methyl)prop-2-ynilamino)benzoyl))-L-glutamic acid;2-[[4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]pentanedioic acid
InChi InChI=1S/C24H23N5O6/c1-2-11-29(13-14-3-8-18-17(12-14)22(33)28-24(25)27-18)16-6-4-15(5-7-16)21(32)26-19(23(34)35)9-10-20(30)31/h1,3-8,12,19H,9-11,13H2,(H,26,32)(H,30,31)(H,34,35)(H3,25,27,28,33)
Formula C24H23N5O6 Molecular Weight 477.47
Cross Link CHEMBL422395

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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National University of Singapore, Singapore

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