General Information of the Compound
| Compound ID |
CP0413419
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| Compound Name |
5-benzyl-4-methyl-2-[(8-methyl-[1,3]dioxolo[4,5-g]quinazolin-6-yl)amino]-1H-pyrimidin-6-one
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| Structure |
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| Formula |
C22H19N5O3
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| Molecular Weight |
401.426
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| Canonical SMILES |
Cc1nc(Nc2nc(=O)c(Cc3ccccc3)c(C)[nH]2)nc2cc3OCOc3cc12
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| InChI |
InChI=1S/C22H19N5O3/c1-12-15-9-18-19(30-11-29-18)10-17(15)25-21(23-12)27-22-24-13(2)16(20(28)26-22)8-14-6-4-3-5-7-14/h3-7,9-10H,8,11H2,1-2H3,(H2,23,24,25,26,27,28)
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| InChIKey |
FRHDYTGKPIRNTH-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: PT02212, Signal transducer and activator of transcription 1-alpha/beta
Protein ID: PT01503, Signal transducer and activator of transcription 3