General Information of the Compound
| Compound ID |
CP0367992
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| Compound Name |
4-[3-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4-(trifluoromethyl)phenyl]-4-chlorophenyl]-3-methylbenzoic acid
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| Structure |
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| Formula |
C34H23ClF9NO4
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| Molecular Weight |
715.996
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| Canonical SMILES |
C[C@H]1[C@H](OC(=O)N1Cc1cc(ccc1-c1cc(ccc1Cl)-c1ccc(cc1C)C(O)=O)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C34H23ClF9NO4/c1-16-9-19(30(46)47)3-6-25(16)18-4-8-28(35)27(13-18)26-7-5-22(32(36,37)38)12-21(26)15-45-17(2)29(49-31(45)48)20-10-23(33(39,40)41)14-24(11-20)34(42,43)44/h3-14,17,29H,15H2,1-2H3,(H,46,47)/t17-,29-/m0/s1
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| InChIKey |
QTXRBYGCEKYZNF-ADKRDUOOSA-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