General Information of the Compound
| Compound ID |
CP0463497
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| Compound Name |
methyl 3-[[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]methoxy]benzoate
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| Structure |
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| Formula |
C28H25Cl2NO5
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| Molecular Weight |
526.416
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| Canonical SMILES |
COC(=O)c1cccc(OCc2ccc(OCc3c(onc3-c3c(Cl)cccc3Cl)C(C)C)cc2)c1
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| InChI |
InChI=1S/C28H25Cl2NO5/c1-17(2)27-22(26(31-36-27)25-23(29)8-5-9-24(25)30)16-35-20-12-10-18(11-13-20)15-34-21-7-4-6-19(14-21)28(32)33-3/h4-14,17H,15-16H2,1-3H3
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| InChIKey |
CCCRNOJXBNWALH-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