General Information of the Compound
| Compound ID |
CP0494218
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| Compound Name |
(1S,2R)-2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-7-(3,5-dimethylisoxazol-4-yl)-1-(4-fluorophenyl)-2,3,8,8a-tetrahydroindolizin-5(1H)-one
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| Structure |
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| Formula |
C29H25F7N2O3
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| Molecular Weight |
582.516
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| Canonical SMILES |
C[C@@H](O[C@H]1CN2C(CC(=CC2=O)c2c(C)noc2C)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C29H25F7N2O3/c1-14-26(16(3)41-37-14)19-10-23-27(17-4-6-22(30)7-5-17)24(13-38(23)25(39)11-19)40-15(2)18-8-20(28(31,32)33)12-21(9-18)29(34,35)36/h4-9,11-12,15,23-24,27H,10,13H2,1-3H3/t15-,23?,24+,27+/m1/s1
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| InChIKey |
VXQHNGNZVKSUJZ-JJQQXIGVSA-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