General Information of the Compound
| Compound ID |
CP0458997
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| Compound Name |
(1S,2R)-2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-1-(4-fluorophenyl)-7-(4-hydroxycyclohex-1-enyl)-2,3,8,8a-tetrahydroindolizin-5(1H)-one
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| Structure |
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| Formula |
C30H28F7NO3
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| Molecular Weight |
583.544
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| Canonical SMILES |
C[C@@H](O[C@H]1CN2C(CC(=CC2=O)C2=CCC(O)CC2)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C30H28F7NO3/c1-16(19-10-21(29(32,33)34)14-22(11-19)30(35,36)37)41-26-15-38-25(28(26)18-2-6-23(31)7-3-18)12-20(13-27(38)40)17-4-8-24(39)9-5-17/h2-4,6-7,10-11,13-14,16,24-26,28,39H,5,8-9,12,15H2,1H3/t16-,24?,25?,26+,28+/m1/s1
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| InChIKey |
ZAFKYFNYLKNJME-LARMGAJPSA-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