General Information of the Compound
| Compound ID |
CP0440506
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| Compound Name |
2-((R)-1-(3,4-dichlorophenylsulfonyl)-3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)-N-((R)-7-((dimethylamino)methyl)chroman-4-yl)acetamide
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| Structure |
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| Formula |
C28H28Cl2N4O5S
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| Molecular Weight |
603.528
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| Canonical SMILES |
CN(C)Cc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@H]1N(c2ccccc2NC1=O)S(=O)(=O)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C28H28Cl2N4O5S/c1-33(2)16-17-7-9-19-22(11-12-39-26(19)13-17)31-27(35)15-25-28(36)32-23-5-3-4-6-24(23)34(25)40(37,38)18-8-10-20(29)21(30)14-18/h3-10,13-14,22,25H,11-12,15-16H2,1-2H3,(H,31,35)(H,32,36)/t22-,25-/m1/s1
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| InChIKey |
QPWTWPRYKWNPJJ-RCZVLFRGSA-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