General Information of the Compound
| Compound ID |
CP0711279
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| Compound Name |
2-[2,4-dichloro-3-(2-methylquinolin-8-yloxymethyl)benzenesulfonylamino]-2-methyl-N-(2-morpholin-4-ylethyl)propionamide
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| Structure |
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| Formula |
C27H32Cl2N4O5S
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| Molecular Weight |
595.549
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| Canonical SMILES |
Cc1ccc2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC(C)(C)C(=O)NCCN4CCOCC4)c3Cl)c2n1
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| InChI |
InChI=1S/C27H32Cl2N4O5S/c1-18-7-8-19-5-4-6-22(25(19)31-18)38-17-20-21(28)9-10-23(24(20)29)39(35,36)32-27(2,3)26(34)30-11-12-33-13-15-37-16-14-33/h4-10,32H,11-17H2,1-3H3,(H,30,34)
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| InChIKey |
WDKHVWLDUSHCTB-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