General Information of the Compound
| Compound ID |
CP0562406
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| Compound Name |
4-(benzyloxy)-N-(4-{[(1-butyrylpiperidin-4-yl)amino]sulfonyl}-1-naphthyl)benzamide
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| Structure |
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| Formula |
C33H35N3O5S
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| Molecular Weight |
585.726
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| Canonical SMILES |
CCCC(=O)N1CCC(CC1)NS(=O)(=O)c1ccc(NC(=O)c2ccc(OCc3ccccc3)cc2)c2ccccc12
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| InChI |
InChI=1S/C33H35N3O5S/c1-2-8-32(37)36-21-19-26(20-22-36)35-42(39,40)31-18-17-30(28-11-6-7-12-29(28)31)34-33(38)25-13-15-27(16-14-25)41-23-24-9-4-3-5-10-24/h3-7,9-18,26,35H,2,8,19-23H2,1H3,(H,34,38)
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| InChIKey |
YDOYYIGKVCDFOT-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