General Information of the Compound
| Compound ID |
CP0138630
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| Compound Name |
2-[3-({(2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylpiperazin-1-yl}sulfonyl)phenoxy]-2-methylpropanoic acid
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| Structure |
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| Formula |
C22H24F4N2O5S
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| Molecular Weight |
504.502
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| Canonical SMILES |
C[C@@H]1CN(CCN1S(=O)(=O)c1cccc(OC(C)(C)C(O)=O)c1)c1ccc(F)cc1C(F)(F)F
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| InChI |
InChI=1S/C22H24F4N2O5S/c1-14-13-27(19-8-7-15(23)11-18(19)22(24,25)26)9-10-28(14)34(31,32)17-6-4-5-16(12-17)33-21(2,3)20(29)30/h4-8,11-12,14H,9-10,13H2,1-3H3,(H,29,30)/t14-/m1/s1
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| InChIKey |
OHGJDYIYXOTBRB-CQSZACIVSA-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