General Information of the Compound
| Compound ID |
CP0926336
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| Compound Name |
3-[1-(1,1-dioxothiazinan-2-yl)-2-methyl-propyl]-6-(8-fluoro-2-naphthyl)-1H-pyridin-2-one
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| Structure |
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| Formula |
C23H25FN2O3S
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| Molecular Weight |
428.529
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| Canonical SMILES |
CC(C)C(c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O)N1CCCCS1(=O)=O
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| InChI |
InChI=1S/C23H25FN2O3S/c1-15(2)22(26-12-3-4-13-30(26,28)29)18-10-11-21(25-23(18)27)17-9-8-16-6-5-7-20(24)19(16)14-17/h5-11,14-15,22H,3-4,12-13H2,1-2H3,(H,25,27)
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| InChIKey |
HZCRPQODUQCNNZ-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