General Information of the Compound
| Compound ID |
CP0312448
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| Compound Name |
2-[(7-methoxy-4-methyl-2-quinazolinyl)amino]-5,6-dimethyl-1H-pyrimidin-4-one
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| Structure |
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| Formula |
C16H17N5O2
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| Molecular Weight |
311.345
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| Canonical SMILES |
COc1ccc2c(C)nc(Nc3nc(C)c(C)c(=O)[nH]3)nc2c1
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| InChI |
InChI=1S/C16H17N5O2/c1-8-9(2)17-16(20-14(8)22)21-15-18-10(3)12-6-5-11(23-4)7-13(12)19-15/h5-7H,1-4H3,(H2,17,18,19,20,21,22)
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| InChIKey |
QQJIYKXTEMDJFM-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: PT01030, Dual specificity protein kinase CLK1
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic