General Information of the Compound
| Compound ID |
CP0443192
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| Compound Name |
(4aR,5S,10bR)-5-cyclohexyl-9-(3-methylbutoxy)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
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| Structure |
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| Formula |
C23H35NO2
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| Molecular Weight |
357.538
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| Canonical SMILES |
CC(C)CCOc1ccc2N[C@@H](C3CCCCC3)[C@H]3CCCO[C@H]3c2c1
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| InChI |
InChI=1S/C23H35NO2/c1-16(2)12-14-25-18-10-11-21-20(15-18)23-19(9-6-13-26-23)22(24-21)17-7-4-3-5-8-17/h10-11,15-17,19,22-24H,3-9,12-14H2,1-2H3/t19-,22+,23-/m1/s1
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| InChIKey |
AFFXEPVBJJJLQC-WTIAFYNJSA-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