General Information of the Compound
| Compound ID |
CP0562779
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| Compound Name |
N-[[2,4-dichloro-3-(4-methoxy-3-propan-2-ylphenoxy)phenyl]methyl]-4-methylsulfonylbenzamide
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| Structure |
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| Formula |
C25H25Cl2NO5S
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| Molecular Weight |
522.45
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| Canonical SMILES |
COc1ccc(Oc2c(Cl)ccc(CNC(=O)c3ccc(cc3)S(C)(=O)=O)c2Cl)cc1C(C)C
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| InChI |
InChI=1S/C25H25Cl2NO5S/c1-15(2)20-13-18(8-12-22(20)32-3)33-24-21(26)11-7-17(23(24)27)14-28-25(29)16-5-9-19(10-6-16)34(4,30)31/h5-13,15H,14H2,1-4H3,(H,28,29)
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| InChIKey |
GUXIPIDTVHPZJU-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