General Information of the Compound
| Compound ID |
CP0209791
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| Compound Name |
(S)-1-((5aR,6S)-1-(4-Fluorophenyl)-5a-methyl-5,5a,6,7,8,9-hexahydroimidazo[1,5-b]isoquinolin-6-yl)-1-(pyridin-3-yl)ethanol
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| Structure |
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| Formula |
C25H26FN3O
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| Molecular Weight |
403.501
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| Canonical SMILES |
C[C@](O)([C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1)c1cccnc1
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| InChI |
InChI=1S/C25H26FN3O/c1-24-15-29-16-28-23(17-8-10-20(26)11-9-17)21(29)13-18(24)5-3-7-22(24)25(2,30)19-6-4-12-27-14-19/h4,6,8-14,16,22,30H,3,5,7,15H2,1-2H3/t22-,24-,25+/m0/s1
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| InChIKey |
XLURXWJLPIJEJT-ZKMPZPQNSA-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