General Information of the Compound
| Compound ID |
CP0347909
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| Compound Name |
4-[[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]methoxy]benzoic acid
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| Structure |
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| Formula |
C27H23Cl2NO5
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| Molecular Weight |
512.389
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| Canonical SMILES |
CC(C)c1onc(c1COc1ccc(COc2ccc(cc2)C(O)=O)cc1)-c1c(Cl)cccc1Cl
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| InChI |
InChI=1S/C27H23Cl2NO5/c1-16(2)26-21(25(30-35-26)24-22(28)4-3-5-23(24)29)15-34-19-10-6-17(7-11-19)14-33-20-12-8-18(9-13-20)27(31)32/h3-13,16H,14-15H2,1-2H3,(H,31,32)
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| InChIKey |
VZLWLZNMMRMHRT-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