General Information of the Compound
| Compound ID |
CP0490914
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| Compound Name |
4-[benzyl-[2-chloro-4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]benzoyl]amino]benzoic acid
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| Structure |
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| Formula |
C34H27Cl3N2O5
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| Molecular Weight |
649.958
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| Canonical SMILES |
CC(C)c1onc(c1COc1ccc(C(=O)N(Cc2ccccc2)c2ccc(cc2)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Cl
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| InChI |
InChI=1S/C34H27Cl3N2O5/c1-20(2)32-26(31(38-44-32)30-27(35)9-6-10-28(30)36)19-43-24-15-16-25(29(37)17-24)33(40)39(18-21-7-4-3-5-8-21)23-13-11-22(12-14-23)34(41)42/h3-17,20H,18-19H2,1-2H3,(H,41,42)
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| InChIKey |
HXEWPVNRCHPZIB-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