General Information of the Compound
| Compound ID |
CP0528411
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| Compound Name |
N-[3,5-dichloro-4-(4-methoxy-3-methylphenoxy)phenyl]-2-pyridin-3-ylacetamide
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| Formula |
C21H18Cl2N2O3
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| Molecular Weight |
417.292
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| Canonical SMILES |
COc1ccc(Oc2c(Cl)cc(NC(=O)Cc3cccnc3)cc2Cl)cc1C
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| InChI |
InChI=1S/C21H18Cl2N2O3/c1-13-8-16(5-6-19(13)27-2)28-21-17(22)10-15(11-18(21)23)25-20(26)9-14-4-3-7-24-12-14/h3-8,10-12H,9H2,1-2H3,(H,25,26)
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| InChIKey |
YPOCBBYIZPWBPP-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