General Information of the Compound
| Compound ID |
CP0214938
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| Compound Name |
(4-fluorophenyl)-((5aR,6S)-1-(4-fluorophenyl)-5a-methyl-5,5a,6,7,8,9-hexahydroimidazo[1,5-b]isoquinolin-6-yl)methanol
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| Structure |
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| Formula |
C25H24F2N2O
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| Molecular Weight |
406.476
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| Canonical SMILES |
C[C@]12Cn3cnc(c3C=C1CCC[C@@H]2[C@H](O)c1ccc(F)cc1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C25H24F2N2O/c1-25-14-29-15-28-23(16-5-9-19(26)10-6-16)22(29)13-18(25)3-2-4-21(25)24(30)17-7-11-20(27)12-8-17/h5-13,15,21,24,30H,2-4,14H2,1H3/t21-,24-,25+/m1/s1
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| InChIKey |
YXQPDNYJXVGIES-SDUSCBPUSA-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