General Information of the Compound
| Compound ID |
CP0256078
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| Compound Name |
methyl 1-[3-[(2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylpiperazin-1-yl]sulfonylphenyl]pyrrolidine-3-carboxylate
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| Structure |
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| Formula |
C24H27F4N3O4S
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| Molecular Weight |
529.556
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| Canonical SMILES |
COC(=O)C1CCN(C1)c1cccc(c1)S(=O)(=O)N1CCN(C[C@H]1C)c1ccc(F)cc1C(F)(F)F
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| InChI |
InChI=1S/C24H27F4N3O4S/c1-16-14-30(22-7-6-18(25)12-21(22)24(26,27)28)10-11-31(16)36(33,34)20-5-3-4-19(13-20)29-9-8-17(15-29)23(32)35-2/h3-7,12-13,16-17H,8-11,14-15H2,1-2H3/t16-,17?/m1/s1
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| InChIKey |
WIAOEHXPHMNOKO-TZHYSIJRSA-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