General Information of the Compound
| Compound ID |
CP0095431
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| Compound Name |
3-[(E)-2-[2-chloro-4-[[3-[2-(2,6-dichlorophenyl)ethyl]-2-oxo-5-propan-2-yl-1,3-oxazol-4-yl]methoxy]phenyl]ethenyl]benzoic acid
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| Structure |
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| Formula |
C30H26Cl3NO5
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| Molecular Weight |
586.899
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| Canonical SMILES |
CC(C)c1oc(=O)n(CCc2c(Cl)cccc2Cl)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
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| InChI |
InChI=1S/C30H26Cl3NO5/c1-18(2)28-27(34(30(37)39-28)14-13-23-24(31)7-4-8-25(23)32)17-38-22-12-11-20(26(33)16-22)10-9-19-5-3-6-21(15-19)29(35)36/h3-12,15-16,18H,13-14,17H2,1-2H3,(H,35,36)/b10-9+
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| InChIKey |
AWYUDZGGYZAHLK-MDZDMXLPSA-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