General Information of the Compound
| Compound ID |
CP0166538
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| Compound Name |
(2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-1-{[3-(4-isopropylpiperazin-1-yl)phenyl]sulfonyl}-2-methylpiperazine
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| Structure |
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| Formula |
C25H32F4N4O2S
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| Molecular Weight |
528.616
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| Canonical SMILES |
CC(C)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/C25H32F4N4O2S/c1-18(2)30-9-11-31(12-10-30)21-5-4-6-22(16-21)36(34,35)33-14-13-32(17-19(33)3)24-8-7-20(26)15-23(24)25(27,28)29/h4-8,15-16,18-19H,9-14,17H2,1-3H3/t19-/m1/s1
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| InChIKey |
OKLULYSRPLVXSO-LJQANCHMSA-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