General Information of the Compound
| Compound ID |
CP0443178
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| Compound Name |
(4aS,5R,10bS)-5-cyclohexyl-9-(3,4-dichlorophenoxy)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
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| Structure |
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| Formula |
C24H27Cl2NO2
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| Molecular Weight |
432.391
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| Canonical SMILES |
Clc1ccc(Oc2ccc3N[C@H](C4CCCCC4)[C@@H]4CCCO[C@@H]4c3c2)cc1Cl
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| InChI |
InChI=1S/C24H27Cl2NO2/c25-20-10-8-17(14-21(20)26)29-16-9-11-22-19(13-16)24-18(7-4-12-28-24)23(27-22)15-5-2-1-3-6-15/h8-11,13-15,18,23-24,27H,1-7,12H2/t18-,23+,24-/m0/s1
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| InChIKey |
RVVBFSLHYPTUOP-GLYQVZKVSA-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