General Information of the Compound
| Compound ID |
CP0160438
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| Compound Name |
2-Cyclohexylmethyl-4-(5-fluoro-2-hydroxy-phenyl)-2-hydroxy-4-methyl-pentanoic acid (1-oxo-1,3-dihydro-isobenzofuran-5-yl)-amide
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| Structure |
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| Formula |
C27H32FNO5
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| Molecular Weight |
469.553
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| Canonical SMILES |
CC(C)(CC(O)(CC1CCCCC1)C(=O)Nc1ccc2C(=O)OCc2c1)c1cc(F)ccc1O
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| InChI |
InChI=1S/C27H32FNO5/c1-26(2,22-13-19(28)8-11-23(22)30)16-27(33,14-17-6-4-3-5-7-17)25(32)29-20-9-10-21-18(12-20)15-34-24(21)31/h8-13,17,30,33H,3-7,14-16H2,1-2H3,(H,29,32)
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| InChIKey |
ZZWNDPPQMABJJG-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