General Information of the Compound
| Compound ID |
CP0458439
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| Compound Name |
N-[4-[(adamantane-1-carbonylamino)methyl]phenyl]-N'-[(2-methylpropan-2-yl)oxy]oxamide
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| Structure |
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| Formula |
C24H33N3O4
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| Molecular Weight |
427.545
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| Canonical SMILES |
CC(C)(C)ONC(=O)C(=O)Nc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1
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| InChI |
InChI=1S/C24H33N3O4/c1-23(2,3)31-27-21(29)20(28)26-19-6-4-15(5-7-19)14-25-22(30)24-11-16-8-17(12-24)10-18(9-16)13-24/h4-7,16-18H,8-14H2,1-3H3,(H,25,30)(H,26,28)(H,27,29)
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| InChIKey |
WPZSXEOSHJOVKN-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