General Information of the Compound
| Compound ID |
CP0008147
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| Compound Name |
methyl 4-methoxy-3-[[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]sulfamoyl]benzoate
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| Structure |
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| Formula |
C21H23F3N2O5S
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| Molecular Weight |
472.485
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| Canonical SMILES |
COC(=O)c1ccc(OC)c(c1)S(=O)(=O)Nc1cc(ccc1N1CCCCC1)C(F)(F)F
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| InChI |
InChI=1S/C21H23F3N2O5S/c1-30-18-9-6-14(20(27)31-2)12-19(18)32(28,29)25-16-13-15(21(22,23)24)7-8-17(16)26-10-4-3-5-11-26/h6-9,12-13,25H,3-5,10-11H2,1-2H3
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| InChIKey |
MQRMBCNBCPQXQF-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