General Information of the Compound
| Compound ID |
CP0225573
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| Compound Name |
2-Benzyl-4-(5-fluoro-2-hydroxy-phenyl)-2-hydroxy-4-methyl-pentanoic acid (4-methyl-1-oxo-1H-benzo[d][1,2]oxazin-6-yl)-amide
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| Structure |
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| Formula |
C28H27FN2O5
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| Molecular Weight |
490.531
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| Canonical SMILES |
Cc1noc(=O)c2ccc(NC(=O)C(O)(Cc3ccccc3)CC(C)(C)c3cc(F)ccc3O)cc12
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| InChI |
InChI=1S/C28H27FN2O5/c1-17-22-14-20(10-11-21(22)25(33)36-31-17)30-26(34)28(35,15-18-7-5-4-6-8-18)16-27(2,3)23-13-19(29)9-12-24(23)32/h4-14,32,35H,15-16H2,1-3H3,(H,30,34)
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| InChIKey |
MHWZNBBELRMCAO-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