General Information of the Compound
| Compound ID |
CP0433368
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| Compound Name |
3-[(2-chloro-4-{[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazol-4-yl]methoxy}benzene)(2-phenylethyl)amido]benzoic acid
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| Structure |
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| Formula |
C35H29Cl3N2O5
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| Molecular Weight |
663.985
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| Canonical SMILES |
CC(C)c1onc(c1COc1ccc(C(=O)N(CCc2ccccc2)c2cccc(c2)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Cl
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| InChI |
InChI=1S/C35H29Cl3N2O5/c1-21(2)33-27(32(39-45-33)31-28(36)12-7-13-29(31)37)20-44-25-14-15-26(30(38)19-25)34(41)40(17-16-22-8-4-3-5-9-22)24-11-6-10-23(18-24)35(42)43/h3-15,18-19,21H,16-17,20H2,1-2H3,(H,42,43)
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| InChIKey |
QSCYLLOENUTJSA-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