General Information of the Compound
| Compound ID |
CP0278380
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| Compound Name |
4-((S)-1-((5aR,6S)-1-(4-fluorophenyl)-5a-methyl-5,5a,6,7,8,9-hexahydroimidazo[1,5-b]isoquinolin-6-yl)-1-hydroxyethyl)benzonitrile
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| Structure |
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| Formula |
C27H26FN3O
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| Molecular Weight |
427.523
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| Canonical SMILES |
C[C@](O)([C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1)c1ccc(cc1)C#N
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| InChI |
InChI=1S/C27H26FN3O/c1-26-16-31-17-30-25(19-8-12-22(28)13-9-19)23(31)14-21(26)4-3-5-24(26)27(2,32)20-10-6-18(15-29)7-11-20/h6-14,17,24,32H,3-5,16H2,1-2H3/t24-,26-,27+/m0/s1
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| InChIKey |
IENLGDURJWOKSY-DOEKTCAHSA-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
Protein ID: PT00967, Glucocorticoid receptor