General Information of the Compound
| Compound ID |
CP0483809
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| Compound Name |
N-[4-[(1-butanoylpiperidin-4-yl)sulfamoyl]naphthalen-1-yl]-1-benzothiophene-2-carboxamide
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| Structure |
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| Formula |
C28H29N3O4S2
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| Molecular Weight |
535.691
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| Canonical SMILES |
CCCC(=O)N1CCC(CC1)NS(=O)(=O)c1ccc(NC(=O)c2cc3ccccc3s2)c2ccccc12
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| InChI |
InChI=1S/C28H29N3O4S2/c1-2-7-27(32)31-16-14-20(15-17-31)30-37(34,35)26-13-12-23(21-9-4-5-10-22(21)26)29-28(33)25-18-19-8-3-6-11-24(19)36-25/h3-6,8-13,18,20,30H,2,7,14-17H2,1H3,(H,29,33)
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| InChIKey |
UHFNHULJUGPBJO-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