General Information of the Compound
| Compound ID |
CP0455195
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| Compound Name |
2-(1-adamantyl)-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
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| Structure |
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| Formula |
C19H28N2O
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| Molecular Weight |
300.446
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| Canonical SMILES |
CN(Cc1cccn1C)C(=O)CC12CC3CC(CC(C3)C1)C2
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| InChI |
InChI=1S/C19H28N2O/c1-20-5-3-4-17(20)13-21(2)18(22)12-19-9-14-6-15(10-19)8-16(7-14)11-19/h3-5,14-16H,6-13H2,1-2H3
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| InChIKey |
UQBKPWLPJNCTLQ-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