General Information of the Compound
| Compound ID |
CP0480484
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| Compound Name |
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-(4-methylphenyl)sulfonylazepane-2-carboxamide
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| Structure |
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| Formula |
C24H27N3O4S2
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| Molecular Weight |
485.631
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| Canonical SMILES |
COc1ccc(cc1)-c1csc(NC(=O)C2CCCCCN2S(=O)(=O)c2ccc(C)cc2)n1
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| InChI |
InChI=1S/C24H27N3O4S2/c1-17-7-13-20(14-8-17)33(29,30)27-15-5-3-4-6-22(27)23(28)26-24-25-21(16-32-24)18-9-11-19(31-2)12-10-18/h7-14,16,22H,3-6,15H2,1-2H3,(H,25,26,28)
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| InChIKey |
NPKOBKJPUACFER-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