General Information of the Compound
| Compound ID |
CP0839545
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| Compound Name |
2-[2,4-dichloro-3-(2-methylquinolin-8-yloxymethyl)benzenesulfonylamino]-N-(3-methoxypropyl)-2-methylpropionamide
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| Structure |
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| Formula |
C25H29Cl2N3O5S
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| Molecular Weight |
554.496
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| Canonical SMILES |
COCCCNC(=O)C(C)(C)NS(=O)(=O)c1ccc(Cl)c(COc2cccc3ccc(C)nc23)c1Cl
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| InChI |
InChI=1S/C25H29Cl2N3O5S/c1-16-9-10-17-7-5-8-20(23(17)29-16)35-15-18-19(26)11-12-21(22(18)27)36(32,33)30-25(2,3)24(31)28-13-6-14-34-4/h5,7-12,30H,6,13-15H2,1-4H3,(H,28,31)
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| InChIKey |
HRKDSQVJCSBPBG-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