General Information of the Compound
| Compound ID |
CP0548019
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| Compound Name |
methyl (4aR,5S,8aS)-4-[2-(3,4-dichlorophenyl)acetyl]-5-(dimethylamino)-2,3,4a,5,6,7,8,8a-octahydroquinoxaline-1-carboxylate
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| Structure |
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| Formula |
C20H27Cl2N3O3
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| Molecular Weight |
428.36
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| Canonical SMILES |
COC(=O)N1CCN([C@@H]2[C@H](CCC[C@H]12)N(C)C)C(=O)Cc1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C20H27Cl2N3O3/c1-23(2)16-5-4-6-17-19(16)25(10-9-24(17)20(27)28-3)18(26)12-13-7-8-14(21)15(22)11-13/h7-8,11,16-17,19H,4-6,9-10,12H2,1-3H3/t16-,17-,19+/m0/s1
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| InChIKey |
HVPMKEHVMDXTBJ-JENIJYKNSA-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