General Information of the Compound
| Compound ID |
CP0232366
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| Compound Name |
4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]benzonitrile
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| Structure |
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| Formula |
C20H16Cl2N2O2
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| Molecular Weight |
387.266
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| Canonical SMILES |
CC(C)c1onc(c1COc1ccc(cc1)C#N)-c1c(Cl)cccc1Cl
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| InChI |
InChI=1S/C20H16Cl2N2O2/c1-12(2)20-15(11-25-14-8-6-13(10-23)7-9-14)19(24-26-20)18-16(21)4-3-5-17(18)22/h3-9,12H,11H2,1-2H3
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| InChIKey |
LPRUVVHJQCPWRD-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