General Information of the Compound
| Compound ID |
CP0930966
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| Compound Name |
N-(5-cyano-2-(4-(2,4-difluorophenoxy)piperidin-1-yl)-4-(dimethylcarbamoyl)phenyl)-2-methoxynicotinamide
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| Structure |
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| Formula |
C28H27F2N5O4
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| Molecular Weight |
535.551
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| Canonical SMILES |
COc1ncccc1C(=O)Nc1cc(C#N)c(C(=O)N(C)C)cc1N1CCC(Oc2ccc(F)cc2F)CC1
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| InChI |
InChI=1S/C28H27F2N5O4/c1-34(2)28(37)21-15-24(35-11-8-19(9-12-35)39-25-7-6-18(29)14-22(25)30)23(13-17(21)16-31)33-26(36)20-5-4-10-32-27(20)38-3/h4-7,10,13-15,19H,8-9,11-12H2,1-3H3,(H,33,36)
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| InChIKey |
VWEZFKMHIMPNPG-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