General Information of the Compound
| Compound ID |
CP0449494
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| Compound Name |
(4aS,5R,10bS)-5-cyclohexyl-N-propyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-9-sulfonamide
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| Structure |
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| Formula |
C21H32N2O3S
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| Molecular Weight |
392.565
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| Canonical SMILES |
CCCNS(=O)(=O)c1ccc2N[C@H](C3CCCCC3)[C@@H]3CCCO[C@@H]3c2c1
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| InChI |
InChI=1S/C21H32N2O3S/c1-2-12-22-27(24,25)16-10-11-19-18(14-16)21-17(9-6-13-26-21)20(23-19)15-7-4-3-5-8-15/h10-11,14-15,17,20-23H,2-9,12-13H2,1H3/t17-,20+,21-/m0/s1
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| InChIKey |
WPCFQWDESUJIEX-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