General Information of the Compound
| Compound ID |
CP0154254
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| Compound Name |
2-[[4-[[(2-amino-4-oxo-3H-pyrido[2,3-d]pyrimidin-6-yl)-formylamino]methyl]benzoyl]amino]pentanedioic acid
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| Structure |
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| Formula |
C14H13N3O3S
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| Molecular Weight |
303.343
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| Canonical SMILES |
Cc1occc1C(=O)NNC(=S)NC(=O)c1ccccc1
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| InChI |
InChI=1S/C21H20N6O7/c22-21-25-17-14(19(32)26-21)7-13(8-23-17)27(10-28)9-11-1-3-12(4-2-11)18(31)24-15(20(33)34)5-6-16(29)30/h1-4,7-8,10,15H,5-6,9H2,(H,24,31)(H,29,30)(H,33,34)(H3,22,23,25,26,32)
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| InChIKey |
WUAOABMYANLMAG-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT02379, Bifunctional purine biosynthesis protein ATIC
Protein ID: PT01651, Dihydrofolate reductase