General Information of the Compound
| Compound ID |
CP0572318
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| Compound Name |
1-[(3-Methyl-benzo[b]thiophen-2-yl)-(4-trifluoromethoxy-benzyl)-sulfamoyl]-piperidine-4-carboxylic acid (2-dimethylamino-ethyl)-amide
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| Structure |
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| Formula |
C27H33F3N4O4S2
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| Molecular Weight |
598.713
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| Canonical SMILES |
CN(C)CCNC(=O)C1CCN(CC1)S(=O)(=O)N(Cc1ccc(OC(F)(F)F)cc1)c1sc2ccccc2c1C
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| InChI |
InChI=1S/C27H33F3N4O4S2/c1-19-23-6-4-5-7-24(23)39-26(19)34(18-20-8-10-22(11-9-20)38-27(28,29)30)40(36,37)33-15-12-21(13-16-33)25(35)31-14-17-32(2)3/h4-11,21H,12-18H2,1-3H3,(H,31,35)
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| InChIKey |
ACPDCGIRRWFJPC-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