General Information of the Compound
| Compound ID |
CP0567714
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| Compound Name |
2-[[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]amino]-6-methyl-4-[(1-methylcyclopropyl)amino]pyrido[4,3-d]pyrimidin-5-one
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| Structure |
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| Formula |
C22H28N8O2
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| Molecular Weight |
436.52
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| Canonical SMILES |
CC(=O)N1CCC(CC1)n1cc(Nc2nc(NC3(C)CC3)c3c(ccn(C)c3=O)n2)cn1
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| InChI |
InChI=1S/C22H28N8O2/c1-14(31)29-10-4-16(5-11-29)30-13-15(12-23-30)24-21-25-17-6-9-28(3)20(32)18(17)19(26-21)27-22(2)7-8-22/h6,9,12-13,16H,4-5,7-8,10-11H2,1-3H3,(H2,24,25,26,27)
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| InChIKey |
PRHMEKQSBYHXGX-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