General Information of the Compound
| Compound ID |
CP0909903
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| Compound Name |
N-(4,5-dicyano-2-(4-(2,4-difluorophenoxy)piperidin-1-yl)phenyl)-2-methoxynicotinamide
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| Structure |
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| Formula |
C26H21F2N5O3
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| Molecular Weight |
489.482
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| Canonical SMILES |
COc1ncccc1C(=O)Nc1cc(C#N)c(C#N)cc1N1CCC(Oc2ccc(F)cc2F)CC1
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| InChI |
InChI=1S/C26H21F2N5O3/c1-35-26-20(3-2-8-31-26)25(34)32-22-11-16(14-29)17(15-30)12-23(22)33-9-6-19(7-10-33)36-24-5-4-18(27)13-21(24)28/h2-5,8,11-13,19H,6-7,9-10H2,1H3,(H,32,34)
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| InChIKey |
HLDDXCRBIAMPJX-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