General Information of the Compound
| Compound ID |
CP0571138
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| Compound Name |
1-(2-methoxy-5-methylphenyl)-2-(3-methoxyphenyl)-N-(2-methylquinolin-5-yl)sulfonylcyclopropane-1-carboxamide
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| Structure |
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| Formula |
C29H28N2O5S
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| Molecular Weight |
516.619
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| Canonical SMILES |
COc1cccc(c1)C1CC1(C(=O)NS(=O)(=O)c1cccc2nc(C)ccc12)c1cc(C)ccc1OC
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| InChI |
InChI=1S/C29H28N2O5S/c1-18-11-14-26(36-4)23(15-18)29(17-24(29)20-7-5-8-21(16-20)35-3)28(32)31-37(33,34)27-10-6-9-25-22(27)13-12-19(2)30-25/h5-16,24H,17H2,1-4H3,(H,31,32)
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| InChIKey |
IKNVJIANAZPOOC-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