General Information of the Compound
| Compound ID |
CP0525696
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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)(methyl)amido]benzoic acid
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| Structure |
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| Formula |
C28H23Cl3N2O5
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| Molecular Weight |
573.86
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| Canonical SMILES |
CC(C)c1onc(c1COc1ccc(C(=O)N(C)c2cccc(c2)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Cl
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| InChI |
InChI=1S/C28H23Cl3N2O5/c1-15(2)26-20(25(32-38-26)24-21(29)8-5-9-22(24)30)14-37-18-10-11-19(23(31)13-18)27(34)33(3)17-7-4-6-16(12-17)28(35)36/h4-13,15H,14H2,1-3H3,(H,35,36)
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| InChIKey |
OQAKDJLSFYPIPF-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