General Information of the Compound
| Compound ID |
CP0481242
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| Compound Name |
(3aS,4R,9bS)-8-butoxy-4-cyclohexyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
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| Structure |
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| Formula |
C21H31NO2
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| Molecular Weight |
329.484
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| Canonical SMILES |
CCCCOc1ccc2N[C@@H]([C@@H]3CCO[C@@H]3c2c1)C1CCCCC1
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| InChI |
InChI=1S/C21H31NO2/c1-2-3-12-23-16-9-10-19-18(14-16)21-17(11-13-24-21)20(22-19)15-7-5-4-6-8-15/h9-10,14-15,17,20-22H,2-8,11-13H2,1H3/t17-,20+,21-/m0/s1
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| InChIKey |
GQAHVTVECDJDGP-WMQCIHAUSA-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