General Information of the Compound
| Compound ID |
CP0422170
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| Compound Name |
(1S,2R)-2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-1-(4-fluorophenyl)-7-phenyl-2,3,8,8a-tetrahydroindolizin-5(1H)-one
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| Structure |
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| Formula |
C30H24F7NO2
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| Molecular Weight |
563.513
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| Canonical SMILES |
C[C@@H](O[C@H]1CN2C(CC(=CC2=O)c2ccccc2)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C30H24F7NO2/c1-17(20-11-22(29(32,33)34)15-23(12-20)30(35,36)37)40-26-16-38-25(28(26)19-7-9-24(31)10-8-19)13-21(14-27(38)39)18-5-3-2-4-6-18/h2-12,14-15,17,25-26,28H,13,16H2,1H3/t17-,25?,26+,28+/m1/s1
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| InChIKey |
QJPQOMYSGGNMMU-PTYIZKHBSA-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