General Information of the Compound
| Compound ID |
CP0194390
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| Compound Name |
2-(4-tert-Butyl-benzyl)-2-hydroxy-4-methyl-4-phenyl-pentanoic acid (1-oxo-1,3-dihydro-isobenzofuran-5-yl)-amide
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| Structure |
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| Formula |
C31H35NO4
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| Molecular Weight |
485.624
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| Canonical SMILES |
CC(C)(C)c1ccc(CC(O)(CC(C)(C)c2ccccc2)C(=O)Nc2ccc3C(=O)OCc3c2)cc1
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| InChI |
InChI=1S/C31H35NO4/c1-29(2,3)23-13-11-21(12-14-23)18-31(35,20-30(4,5)24-9-7-6-8-10-24)28(34)32-25-15-16-26-22(17-25)19-36-27(26)33/h6-17,35H,18-20H2,1-5H3,(H,32,34)
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| InChIKey |
XVYWAUINFAXEKA-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