General Information of the Compound
| Compound ID |
CP0543446
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| Compound Name |
4-[(1-benzhydrylpiperidin-4-yl)methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide
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| Structure |
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| Formula |
C30H33FN2O4S
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| Molecular Weight |
536.669
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| Canonical SMILES |
CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)C(c2ccccc2)c2ccccc2)cc1F
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| InChI |
InChI=1S/C30H33FN2O4S/c1-38(35,36)32-30(34)26-18-25(22-12-13-22)28(19-27(26)31)37-20-21-14-16-33(17-15-21)29(23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-11,18-19,21-22,29H,12-17,20H2,1H3,(H,32,34)
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| InChIKey |
XVGMRZRHSRQQFG-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
Protein ID: PT01105, Sodium channel protein type 5 subunit alpha
Protein ID: PT05769, Sodium channel protein type 7 subunit alpha