General Information of the Compound
| Compound ID |
CP0551236
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| Compound Name |
6-(difluoromethyl)-4-[(1-methylcyclopropyl)amino]-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrido[4,3-d]pyrimidin-5-one
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| Structure |
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| Formula |
C21H26F2N8O
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| Molecular Weight |
444.49
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| Canonical SMILES |
CN1CCC(CC1)n1cc(Nc2nc(NC3(C)CC3)c3c(ccn(C(F)F)c3=O)n2)cn1
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| InChI |
InChI=1S/C21H26F2N8O/c1-21(6-7-21)28-17-16-15(5-10-30(18(16)32)19(22)23)26-20(27-17)25-13-11-24-31(12-13)14-3-8-29(2)9-4-14/h5,10-12,14,19H,3-4,6-9H2,1-2H3,(H2,25,26,27,28)
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| InChIKey |
VLBKXXINBKRPTA-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