General Information of the Compound
| Compound ID |
CP0210706
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| Compound Name |
N-cyclopropyl-N-[1-[(2,6-dimethoxyphenyl)methyl]piperidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide
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| Structure |
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| Formula |
C24H29F3N2O4S
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| Molecular Weight |
498.567
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| Canonical SMILES |
COc1cccc(OC)c1CN1CCC(CC1)N(C1CC1)S(=O)(=O)c1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C24H29F3N2O4S/c1-32-22-7-4-8-23(33-2)21(22)16-28-13-11-19(12-14-28)29(18-9-10-18)34(30,31)20-6-3-5-17(15-20)24(25,26)27/h3-8,15,18-19H,9-14,16H2,1-2H3
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| InChIKey |
LJHMYNUCTJGBAR-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