General Information of the Compound
| Compound ID |
CP0508189
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| Compound Name |
2-(1-adamantyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
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| Structure |
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| Formula |
C18H26N2O
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| Molecular Weight |
286.419
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| Canonical SMILES |
Cn1cccc1CNC(=O)CC12CC3CC(CC(C3)C1)C2
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| InChI |
InChI=1S/C18H26N2O/c1-20-4-2-3-16(20)12-19-17(21)11-18-8-13-5-14(9-18)7-15(6-13)10-18/h2-4,13-15H,5-12H2,1H3,(H,19,21)
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| InChIKey |
IZBQNTQBTRAZDC-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