General Information of the Compound
| Compound ID |
CP0086667
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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-(thiophen-2-yl)ethanol
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| Structure |
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| Formula |
C24H25FN2OS
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| Molecular Weight |
408.542
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| Canonical SMILES |
C[C@](O)([C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1)c1cccs1
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| InChI |
InChI=1S/C24H25FN2OS/c1-23-14-27-15-26-22(16-8-10-18(25)11-9-16)19(27)13-17(23)5-3-6-20(23)24(2,28)21-7-4-12-29-21/h4,7-13,15,20,28H,3,5-6,14H2,1-2H3/t20-,23-,24-/m0/s1
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| InChIKey |
VQXYALIFGGOXRU-OYDLWJJNSA-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