General Information of the Compound
| Compound ID |
CP0962512
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| Compound Name |
N-(2-(4-(2,4-difluorophenoxy)piperidin-1-yl)-5-(hydroxymethyl)pyridin-3-yl)-2-methoxynicotinamide
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| Structure |
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| Formula |
C24H24F2N4O4
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| Molecular Weight |
470.476
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| Canonical SMILES |
COc1ncccc1C(=O)Nc1cc(CO)cnc1N1CCC(Oc2ccc(F)cc2F)CC1
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| InChI |
InChI=1S/C24H24F2N4O4/c1-33-24-18(3-2-8-27-24)23(32)29-20-11-15(14-31)13-28-22(20)30-9-6-17(7-10-30)34-21-5-4-16(25)12-19(21)26/h2-5,8,11-13,17,31H,6-7,9-10,14H2,1H3,(H,29,32)
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| InChIKey |
SDWJHBWXUPTXHV-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