General Information of the Compound
| Compound ID |
CP0458421
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| Compound Name |
N-[4-[(1-adamantylcarbamoylamino)methyl]phenyl]-N'-(oxan-2-yloxy)oxamide
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| Structure |
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| Formula |
C25H34N4O5
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| Molecular Weight |
470.57
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| Canonical SMILES |
O=C(NCc1ccc(NC(=O)C(=O)NOC2CCCCO2)cc1)NC12CC3CC(CC(C3)C1)C2
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| InChI |
InChI=1S/C25H34N4O5/c30-22(23(31)29-34-21-3-1-2-8-33-21)27-20-6-4-16(5-7-20)15-26-24(32)28-25-12-17-9-18(13-25)11-19(10-17)14-25/h4-7,17-19,21H,1-3,8-15H2,(H,27,30)(H,29,31)(H2,26,28,32)
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| InChIKey |
QAGIMPKIQOQUOC-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