General Information of the Compound
| Compound ID |
CP0166537
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| Compound Name |
methyl 4-[3-[(2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylpiperazin-1-yl]sulfonylphenyl]piperazine-1-carboxylate
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| Structure |
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| Formula |
C24H28F4N4O4S
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| Molecular Weight |
544.571
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| Canonical SMILES |
COC(=O)N1CCN(CC1)c1cccc(c1)S(=O)(=O)N1CCN(C[C@H]1C)c1ccc(F)cc1C(F)(F)F
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| InChI |
InChI=1S/C24H28F4N4O4S/c1-17-16-31(22-7-6-18(25)14-21(22)24(26,27)28)12-13-32(17)37(34,35)20-5-3-4-19(15-20)29-8-10-30(11-9-29)23(33)36-2/h3-7,14-15,17H,8-13,16H2,1-2H3/t17-/m1/s1
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| InChIKey |
KOBYKGQRNOECRN-QGZVFWFLSA-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