General Information of the Compound
| Compound ID |
CP0473499
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| Compound Name |
(1S,2R)-2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-1-(4-fluorophenyl)-7-(oxazol-2-yl)-2,3,8,8a-tetrahydroindolizin-5(1H)-one
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| Structure |
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| Formula |
C27H21F7N2O3
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| Molecular Weight |
554.462
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| Canonical SMILES |
C[C@@H](O[C@H]1CN2C(CC(=CC2=O)c2ncco2)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C27H21F7N2O3/c1-14(16-8-18(26(29,30)31)12-19(9-16)27(32,33)34)39-22-13-36-21(24(22)15-2-4-20(28)5-3-15)10-17(11-23(36)37)25-35-6-7-38-25/h2-9,11-12,14,21-22,24H,10,13H2,1H3/t14-,21?,22+,24+/m1/s1
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| InChIKey |
ZSTXQOIXRLPQDS-QTKGOVLGSA-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