General Information of the Compound
| Compound ID |
CP0398258
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| Compound Name |
1-benzyl-6-(2-hydroxy-5-methoxy-benzoyl)-3-methyl-pyrido[2,3-d]pyrimidine-2,4-quinone
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| Structure |
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| Formula |
C23H19N3O5
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| Molecular Weight |
417.421
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| Canonical SMILES |
COc1ccc(O)c(c1)C(=O)c1cnc2n(Cc3ccccc3)c(=O)n(C)c(=O)c2c1
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| InChI |
InChI=1S/C23H19N3O5/c1-25-22(29)18-10-15(20(28)17-11-16(31-2)8-9-19(17)27)12-24-21(18)26(23(25)30)13-14-6-4-3-5-7-14/h3-12,27H,13H2,1-2H3
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| InChIKey |
VRXPBSGGJBDQFA-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: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06124, Paired box protein Pax-8