General Information of the Compound
| Compound ID |
CP0373552
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| Compound Name |
3-[(E)-2-(2-chloro-4-{[3-(2,6-dichlorophenyl)-5-phenyl-1,2-oxazol-4-yl]methoxy}phenyl)ethenyl]benzoic acid
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| Structure |
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| Formula |
C31H20Cl3NO4
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| Molecular Weight |
576.863
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| Canonical SMILES |
OC(=O)c1cccc(\C=C\c2ccc(OCc3c(noc3-c3ccccc3)-c3c(Cl)cccc3Cl)cc2Cl)c1
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| InChI |
InChI=1S/C31H20Cl3NO4/c32-25-10-5-11-26(33)28(25)29-24(30(39-35-29)21-7-2-1-3-8-21)18-38-23-15-14-20(27(34)17-23)13-12-19-6-4-9-22(16-19)31(36)37/h1-17H,18H2,(H,36,37)/b13-12+
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| InChIKey |
CNZACFCLDVRZJS-OUKQBFOZSA-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