General Information of the Compound
| Compound ID |
CP0402044
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| Compound Name |
(1S,2R)-2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-1-(4-fluorophenyl)-7-(2-methoxypyridin-4-yl)-2,3,8,8a-tetrahydroindolizin-5(1H)-one
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| Structure |
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| Formula |
C30H25F7N2O3
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| Molecular Weight |
594.527
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| Canonical SMILES |
COc1cc(ccn1)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/C30H25F7N2O3/c1-16(19-9-21(29(32,33)34)14-22(10-19)30(35,36)37)42-25-15-39-24(28(25)17-3-5-23(31)6-4-17)11-20(13-27(39)40)18-7-8-38-26(12-18)41-2/h3-10,12-14,16,24-25,28H,11,15H2,1-2H3/t16-,24?,25+,28+/m1/s1
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| InChIKey |
RPEJUMUSKMYYSP-ZAYWWLBMSA-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