General Information of the Compound
| Compound ID |
CP0502376
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| Compound Name |
(1S,2R)-2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-7-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-(4-fluorophenyl)-2,3,8,8a-tetrahydroindolizin-5(1H)-one
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| Structure |
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| Formula |
C28H24F7N3O3
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| Molecular Weight |
583.504
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| Canonical SMILES |
CCc1noc(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/C28H24F7N3O3/c1-3-23-36-26(41-37-23)17-10-21-25(15-4-6-20(29)7-5-15)22(13-38(21)24(39)11-17)40-14(2)16-8-18(27(30,31)32)12-19(9-16)28(33,34)35/h4-9,11-12,14,21-22,25H,3,10,13H2,1-2H3/t14-,21?,22+,25+/m1/s1
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| InChIKey |
OLBVNQGFVBFGMT-DQAAWZIYSA-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