General Information of the Compound
| Compound ID |
CP0571389
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| Compound Name |
1-(2-methoxy-5-methylphenyl)-N-(2-methylquinolin-5-yl)sulfonyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
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| Structure |
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| Formula |
C29H25F3N2O4S
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| Molecular Weight |
554.59
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| Canonical SMILES |
COc1ccc(C)cc1C1(CC1c1cccc(c1)C(F)(F)F)C(=O)NS(=O)(=O)c1cccc2nc(C)ccc12
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| InChI |
InChI=1S/C29H25F3N2O4S/c1-17-10-13-25(38-3)22(14-17)28(16-23(28)19-6-4-7-20(15-19)29(30,31)32)27(35)34-39(36,37)26-9-5-8-24-21(26)12-11-18(2)33-24/h4-15,23H,16H2,1-3H3,(H,34,35)
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| InChIKey |
NMJHKGBZHSCYIO-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