General Information of the Compound
| Compound ID |
CP0158847
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| Compound Name |
(2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methyl-1-{[3-(1H-pyrazol-1-yl)phenyl]sulfonyl}piperazine
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| Structure |
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| Formula |
C21H20F4N4O2S
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| Molecular Weight |
468.476
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| Canonical SMILES |
C[C@@H]1CN(CCN1S(=O)(=O)c1cccc(c1)-n1ccnc1)c1ccc(F)cc1C(F)(F)F
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| InChI |
InChI=1S/C21H20F4N4O2S/c1-15-13-27(20-6-5-16(22)11-19(20)21(23,24)25)9-10-29(15)32(30,31)18-4-2-3-17(12-18)28-8-7-26-14-28/h2-8,11-12,14-15H,9-10,13H2,1H3/t15-/m1/s1
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| InChIKey |
OWXLGMVYEVITDZ-OAHLLOKOSA-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