General Information of the Compound
| Compound ID |
CP0254850
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| Compound Name |
(R)-2-((5aR,6S)-1-(4-Fluorophenyl)-5a-methyl-5,5a,6,7,8,9-hexahydroimidazo[1,5-b]isoquinolin-6-yl)-4-methylpentan-2-ol
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| Structure |
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| Formula |
C24H31FN2O
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| Molecular Weight |
382.523
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| Canonical SMILES |
CC(C)C[C@@](C)(O)[C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1
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| InChI |
InChI=1S/C24H31FN2O/c1-16(2)13-24(4,28)21-7-5-6-18-12-20-22(17-8-10-19(25)11-9-17)26-15-27(20)14-23(18,21)3/h8-12,15-16,21,28H,5-7,13-14H2,1-4H3/t21-,23-,24+/m0/s1
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| InChIKey |
FVNUALGZXXEUEP-OEMFJLHTSA-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