General Information of the Compound
| Compound ID |
CP0911041
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| Compound Name |
6-(8-fluoro-2-naphthyl)-3-[2-methyl-1-[(4-methylsulfonylpiperazin-1-yl)methyl]propyl]-1H-pyridin-2-one
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| Structure |
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| Formula |
C25H30FN3O3S
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| Molecular Weight |
471.598
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| Canonical SMILES |
CC(C)C(CN1CCN(S(C)(=O)=O)CC1)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O
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| InChI |
InChI=1S/C25H30FN3O3S/c1-17(2)22(16-28-11-13-29(14-12-28)33(3,31)32)20-9-10-24(27-25(20)30)19-8-7-18-5-4-6-23(26)21(18)15-19/h4-10,15,17,22H,11-14,16H2,1-3H3,(H,27,30)
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| InChIKey |
MVOUVMVMVNWNFV-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