General Information of the Compound
| Compound ID |
CP0199949
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| Compound Name |
N-methyl-N-[(1-methylpyrrol-2-yl)methyl]adamantane-1-carboxamide
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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 |
CN(Cc1cccn1C)C(=O)C12CC3CC(CC(C3)C1)C2
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| InChI |
InChI=1S/C18H26N2O/c1-19-5-3-4-16(19)12-20(2)17(21)18-9-13-6-14(10-18)8-15(7-13)11-18/h3-5,13-15H,6-12H2,1-2H3
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| InChIKey |
WECXXIXHKMZMPW-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