General Information of the Compound
| Compound ID |
CP0077904
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| Compound Name |
2-Hydroxy-2-isopropyl-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 |
C23H27NO4
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| Molecular Weight |
381.472
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| Canonical SMILES |
CC(C)C(O)(CC(C)(C)c1ccccc1)C(=O)Nc1ccc2C(=O)OCc2c1
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| InChI |
InChI=1S/C23H27NO4/c1-15(2)23(27,14-22(3,4)17-8-6-5-7-9-17)21(26)24-18-10-11-19-16(12-18)13-28-20(19)25/h5-12,15,27H,13-14H2,1-4H3,(H,24,26)
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| InChIKey |
MGDHDHQGYPSORD-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