General Information of the Compound
| Compound ID |
CP0931300
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| Compound Name |
N-(6-cyano-3-(4-(2,4-difluorophenoxy)piperidin-1-yl)pyridazin-4-yl)-2-methoxynicotinamide
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| Structure |
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| Formula |
C23H20F2N6O3
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| Molecular Weight |
466.448
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| Canonical SMILES |
COc1ncccc1C(=O)Nc1cc(C#N)nnc1N1CCC(Oc2ccc(F)cc2F)CC1
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| InChI |
InChI=1S/C23H20F2N6O3/c1-33-23-17(3-2-8-27-23)22(32)28-19-12-15(13-26)29-30-21(19)31-9-6-16(7-10-31)34-20-5-4-14(24)11-18(20)25/h2-5,8,11-12,16H,6-7,9-10H2,1H3,(H,28,29,32)
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| InChIKey |
UUXDEWKYOZDRLB-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