General Information of the Compound
| Compound ID |
CP0443577
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| Compound Name |
N-[4-[[2-(1-adamantyl)acetyl]amino]phenyl]-N'-methoxy-N'-methyloxamide
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| Structure |
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| Formula |
C22H29N3O4
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| Molecular Weight |
399.491
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| Canonical SMILES |
CON(C)C(=O)C(=O)Nc1ccc(NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1
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| InChI |
InChI=1S/C22H29N3O4/c1-25(29-2)21(28)20(27)24-18-5-3-17(4-6-18)23-19(26)13-22-10-14-7-15(11-22)9-16(8-14)12-22/h3-6,14-16H,7-13H2,1-2H3,(H,23,26)(H,24,27)
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| InChIKey |
WRYFLJIALXTXNL-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