General Information of the Compound
| Compound ID |
CP0485673
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| Compound Name |
(1S,2R)-2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-1-(4-fluorophenyl)-7-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3,8,8a-tetrahydroindolizin-5(1H)-one
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| Structure |
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| Formula |
C27H22F7N3O3
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| Molecular Weight |
569.477
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| Canonical SMILES |
C[C@@H](O[C@H]1CN2C(CC(=CC2=O)c2nc(C)no2)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C27H22F7N3O3/c1-13(16-7-18(26(29,30)31)11-19(8-16)27(32,33)34)39-22-12-37-21(24(22)15-3-5-20(28)6-4-15)9-17(10-23(37)38)25-35-14(2)36-40-25/h3-8,10-11,13,21-22,24H,9,12H2,1-2H3/t13-,21?,22+,24+/m1/s1
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| InChIKey |
GIHKGZFPSSNFJQ-JISGFXAGSA-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