General Information of the Compound
| Compound ID |
CP0949151
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| Compound Name |
2-[2,4-dichloro-3-(2-methylquinolin-8-yloxymethyl)benzenesulfonylamino]-N-(2-methoxyethyl)-2-methylpropionamide
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| Structure |
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| Formula |
C24H27Cl2N3O5S
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| Molecular Weight |
540.469
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| Canonical SMILES |
COCCNC(=O)C(C)(C)NS(=O)(=O)c1ccc(Cl)c(COc2cccc3ccc(C)nc23)c1Cl
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| InChI |
InChI=1S/C24H27Cl2N3O5S/c1-15-8-9-16-6-5-7-19(22(16)28-15)34-14-17-18(25)10-11-20(21(17)26)35(31,32)29-24(2,3)23(30)27-12-13-33-4/h5-11,29H,12-14H2,1-4H3,(H,27,30)
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| InChIKey |
MDJHPUZDWHVSFR-UHFFFAOYSA-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