General Information of the Compound
| Compound ID |
CP0422171
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| Compound Name |
3-((1S,2R)-2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-1-(4-fluorophenyl)-5-oxo-1,2,3,5,8,8a-hexahydroindolizin-7-yl)pyridine 1-oxide
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| Structure |
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| Formula |
C29H23F7N2O3
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| Molecular Weight |
580.5
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| Canonical SMILES |
C[C@@H](O[C@H]1CN2C(CC(=CC2=O)c2ccc[n+]([O-])c2)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C29H23F7N2O3/c1-16(19-9-21(28(31,32)33)13-22(10-19)29(34,35)36)41-25-15-38-24(27(25)17-4-6-23(30)7-5-17)11-20(12-26(38)39)18-3-2-8-37(40)14-18/h2-10,12-14,16,24-25,27H,11,15H2,1H3/t16-,24?,25+,27+/m1/s1
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| InChIKey |
KYBKBJIPIVZNKG-SAYLLPIZSA-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