General Information of the Compound
| Compound ID |
CP0902915
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| Compound Name |
N-(5-cyano-2-(4-(2,4-(difluoromethoxy)piperidin-1-yl)phenyl)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
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| Structure |
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| Formula |
C27H21F2N5O3
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| Molecular Weight |
501.493
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| Canonical SMILES |
N#Cc1ccc(N2CCC(Oc3ccc(F)cc3F)CC2)c(NC(=O)c2cnc3ccccn3c2=O)c1
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| InChI |
InChI=1S/C27H21F2N5O3/c28-18-5-7-24(21(29)14-18)37-19-8-11-33(12-9-19)23-6-4-17(15-30)13-22(23)32-26(35)20-16-31-25-3-1-2-10-34(25)27(20)36/h1-7,10,13-14,16,19H,8-9,11-12H2,(H,32,35)
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| InChIKey |
LVORKAJGPXPUAK-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