General Information of the Compound
| Compound ID |
CP0512128
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| Compound Name |
1-[(3-Methyl-benzo[b]thiophen-2-yl)-(4-trifluoromethoxy-benzyl)-sulfamoyl]-piperidine-4-carboxylic acid
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| Structure |
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| Formula |
C23H23F3N2O5S2
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| Molecular Weight |
528.574
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| Canonical SMILES |
Cc1c(sc2ccccc12)N(Cc1ccc(OC(F)(F)F)cc1)S(=O)(=O)N1CCC(CC1)C(O)=O
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| InChI |
InChI=1S/C23H23F3N2O5S2/c1-15-19-4-2-3-5-20(19)34-21(15)28(14-16-6-8-18(9-7-16)33-23(24,25)26)35(31,32)27-12-10-17(11-13-27)22(29)30/h2-9,17H,10-14H2,1H3,(H,29,30)
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| InChIKey |
JTXBWLDKRJIHLE-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