General Information of the Compound
| Compound ID |
CP0567968
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| Compound Name |
6-(2,2-difluoroethyl)-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 |
C22H28F2N8O
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| Molecular Weight |
458.517
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| Canonical SMILES |
CN1CCC(CC1)n1cc(Nc2nc(NC3(C)CC3)c3c(ccn(CC(F)F)c3=O)n2)cn1
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| InChI |
InChI=1S/C22H28F2N8O/c1-22(6-7-22)29-19-18-16(5-10-31(20(18)33)13-17(23)24)27-21(28-19)26-14-11-25-32(12-14)15-3-8-30(2)9-4-15/h5,10-12,15,17H,3-4,6-9,13H2,1-2H3,(H2,26,27,28,29)
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| InChIKey |
GHVMKCWQHYDLSH-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