General Information of the Compound
| Compound ID |
CP0402045
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| Compound Name |
(1S,2R)-2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-1-(4-fluorophenyl)-7-(3-isopropyl-1,2,4-oxadiazol-5-yl)-2,3,8,8a-tetrahydroindolizin-5(1H)-one
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| Structure |
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| Formula |
C29H26F7N3O3
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| Molecular Weight |
597.531
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| Canonical SMILES |
CC(C)c1noc(n1)C1=CC(=O)N2C[C@H](O[C@H](C)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)[C@H](C2C1)c1ccc(F)cc1
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| InChI |
InChI=1S/C29H26F7N3O3/c1-14(2)26-37-27(42-38-26)18-10-22-25(16-4-6-21(30)7-5-16)23(13-39(22)24(40)11-18)41-15(3)17-8-19(28(31,32)33)12-20(9-17)29(34,35)36/h4-9,11-12,14-15,22-23,25H,10,13H2,1-3H3/t15-,22?,23+,25+/m1/s1
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| InChIKey |
JBANDCXQHHODFB-LFHWKTFOSA-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