General Information of the Compound
| Compound ID |
CP0465108
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| Compound Name |
1-[(4aS,8S,8aR)-8-[(3S)-3-hydroxypyrrolidin-1-yl]-4-(1,2-oxazol-3-ylmethylsulfonyl)-2,3,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl]-2-(4-chlorophenyl)ethanone
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| Structure |
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| Formula |
C24H31ClN4O5S
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| Molecular Weight |
523.055
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| Canonical SMILES |
O[C@H]1CCN(C1)[C@H]1CCC[C@H]2[C@@H]1N(CCN2S(=O)(=O)Cc1ccon1)C(=O)Cc1ccc(Cl)cc1
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| InChI |
InChI=1S/C24H31ClN4O5S/c25-18-6-4-17(5-7-18)14-23(31)28-11-12-29(35(32,33)16-19-9-13-34-26-19)22-3-1-2-21(24(22)28)27-10-8-20(30)15-27/h4-7,9,13,20-22,24,30H,1-3,8,10-12,14-16H2/t20-,21-,22-,24+/m0/s1
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| InChIKey |
LKHLWYRFNPPXRF-GRSYGWAWSA-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