General Information of the Compound
| Compound ID |
CP0491380
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| Compound Name |
[(4R,4aS,8aS)-4-hydroxy-4-(3-methylsulfonylphenyl)-2,3,4a,5,6,7,8,8a-octahydroquinolin-1-yl]-phenylmethanone
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| Structure |
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| Formula |
C23H27NO4S
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| Molecular Weight |
413.539
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| Canonical SMILES |
CS(=O)(=O)c1cccc(c1)[C@@]1(O)CCN([C@H]2CCCC[C@H]12)C(=O)c1ccccc1
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| InChI |
InChI=1S/C23H27NO4S/c1-29(27,28)19-11-7-10-18(16-19)23(26)14-15-24(21-13-6-5-12-20(21)23)22(25)17-8-3-2-4-9-17/h2-4,7-11,16,20-21,26H,5-6,12-15H2,1H3/t20-,21-,23-/m0/s1
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| InChIKey |
ZKVBZSUVEABGED-FUDKSRODSA-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