General Information of the Compound
| Compound ID |
CP0197630
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| Compound Name |
1-(1-(4-Fluorophenyl)-5a-methyl-5,5a,6,7,8,9-hexahydroimidazo-[1,5-b]isoquinolin-6-yl)but-3-en-1-ol
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| Structure |
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| Formula |
C22H25FN2O
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| Molecular Weight |
352.453
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| Canonical SMILES |
CC12Cn3cnc(c3C=C1CCCC2C(O)CC=C)-c1ccc(F)cc1
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| InChI |
InChI=1S/C22H25FN2O/c1-3-5-20(26)18-7-4-6-16-12-19-21(15-8-10-17(23)11-9-15)24-14-25(19)13-22(16,18)2/h3,8-12,14,18,20,26H,1,4-7,13H2,2H3
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| InChIKey |
HJWUJOGTYFVHKR-UHFFFAOYSA-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