General Information of the Compound
| Compound ID |
CP0905677
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| Compound Name |
N-(2-cyano-5-(4-(2,4-difluorophenoxy)piperidin-1-yl)pyridin-4-yl)-2-methoxynicotinamide
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| Structure |
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| Formula |
C24H21F2N5O3
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| Molecular Weight |
465.46
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| Canonical SMILES |
COc1ncccc1C(=O)Nc1cc(C#N)ncc1N1CCC(Oc2ccc(F)cc2F)CC1
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| InChI |
InChI=1S/C24H21F2N5O3/c1-33-24-18(3-2-8-28-24)23(32)30-20-12-16(13-27)29-14-21(20)31-9-6-17(7-10-31)34-22-5-4-15(25)11-19(22)26/h2-5,8,11-12,14,17H,6-7,9-10H2,1H3,(H,29,30,32)
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| InChIKey |
FYBAOOCJLUTFGN-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