General Information of the Compound
| Compound ID |
CP0254606
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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)pent-4-en-2-ol
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| Structure |
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| Formula |
C23H27FN2O
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| Molecular Weight |
366.48
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| Canonical SMILES |
C[C@@](O)(CC=C)[C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1
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| InChI |
InChI=1S/C23H27FN2O/c1-4-12-23(3,27)20-7-5-6-17-13-19-21(16-8-10-18(24)11-9-16)25-15-26(19)14-22(17,20)2/h4,8-11,13,15,20,27H,1,5-7,12,14H2,2-3H3/t20-,22-,23+/m0/s1
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| InChIKey |
FBQILQSOCPDASN-ACIOBRDBSA-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