General Information of the Compound
| Compound ID |
CP0578716
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| Compound Name |
1-(2-methoxy-5-methylphenyl)-N-(2-methylquinolin-5-yl)sulfonyl-2-(6-propan-2-yloxypyridin-2-yl)cyclopropane-1-carboxamide
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| Structure |
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| Formula |
C30H31N3O5S
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| Molecular Weight |
545.661
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| Canonical SMILES |
COc1ccc(C)cc1C1(CC1c1cccc(OC(C)C)n1)C(=O)NS(=O)(=O)c1cccc2nc(C)ccc12
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| InChI |
InChI=1S/C30H31N3O5S/c1-18(2)38-28-11-7-9-25(32-28)23-17-30(23,22-16-19(3)12-15-26(22)37-5)29(34)33-39(35,36)27-10-6-8-24-21(27)14-13-20(4)31-24/h6-16,18,23H,17H2,1-5H3,(H,33,34)
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| InChIKey |
WYIZSZVJNIHVCJ-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