General Information of the Compound
| Compound ID |
CP0860226
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| Compound Name |
N-cyclopropyl-N-(1-(5-fluoro-2-(methylsulfonyl)benzoyl)-4-methylpiperidin-4-yl)-3-(trifluoromethyl)benzenesulfonamide
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| Structure |
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| Formula |
C24H26F4N2O5S2
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| Molecular Weight |
562.607
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| Canonical SMILES |
CC1(N(C2CC2)S(=O)(=O)c2cccc(C(F)(F)F)c2)CCN(C(=O)c2cc(F)ccc2S(C)(=O)=O)CC1
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| InChI |
InChI=1S/C24H26F4N2O5S2/c1-23(30(18-7-8-18)37(34,35)19-5-3-4-16(14-19)24(26,27)28)10-12-29(13-11-23)22(31)20-15-17(25)6-9-21(20)36(2,32)33/h3-6,9,14-15,18H,7-8,10-13H2,1-2H3
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| InChIKey |
OKWLVSKWGOOBQP-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