General Information of the Compound
| Compound ID |
CP0492385
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| Compound Name |
3-[[4-[(3-phenyl-5-propan-2-yl-1,2-oxazol-4-yl)methoxy]phenyl]methoxy]benzoic acid
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| Structure |
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| Formula |
C27H25NO5
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| Molecular Weight |
443.499
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| Canonical SMILES |
CC(C)c1onc(c1COc1ccc(COc2cccc(c2)C(O)=O)cc1)-c1ccccc1
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| InChI |
InChI=1S/C27H25NO5/c1-18(2)26-24(25(28-33-26)20-7-4-3-5-8-20)17-32-22-13-11-19(12-14-22)16-31-23-10-6-9-21(15-23)27(29)30/h3-15,18H,16-17H2,1-2H3,(H,29,30)
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| InChIKey |
DAAUMPZTIHUHTE-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