General Information of the Compound
| Compound ID |
CP0931270
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| Compound Name |
1-benzyl-N-(5-cyano-2-(4-(2,4-difluorophenoxy)piperidin-1-yl)phenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide
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| Structure |
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| Formula |
C31H26F2N4O3
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| Molecular Weight |
540.57
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| Canonical SMILES |
N#Cc1ccc(N2CCC(Oc3ccc(F)cc3F)CC2)c(NC(=O)c2cccn(Cc3ccccc3)c2=O)c1
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| InChI |
InChI=1S/C31H26F2N4O3/c32-23-9-11-29(26(33)18-23)40-24-12-15-36(16-13-24)28-10-8-22(19-34)17-27(28)35-30(38)25-7-4-14-37(31(25)39)20-21-5-2-1-3-6-21/h1-11,14,17-18,24H,12-13,15-16,20H2,(H,35,38)
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| InChIKey |
UVXPKYWGVBRSKM-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