General Information of the Compound
| Compound ID |
CP0504638
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| Compound Name |
N-methyl-2-[2-oxo-3-[1-(2,2,4,4-tetramethylcyclohexyl)piperidin-4-yl]benzimidazol-1-yl]acetamide
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| Structure |
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| Formula |
C25H38N4O2
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| Molecular Weight |
426.605
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| Canonical SMILES |
CNC(=O)Cn1c2ccccc2n(C2CCN(CC2)C2CCC(C)(C)CC2(C)C)c1=O
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| InChI |
InChI=1S/C25H38N4O2/c1-24(2)13-10-21(25(3,4)17-24)27-14-11-18(12-15-27)29-20-9-7-6-8-19(20)28(23(29)31)16-22(30)26-5/h6-9,18,21H,10-17H2,1-5H3,(H,26,30)
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| InChIKey |
VDOBZFFHOXPQEY-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
Protein ID: PT01515, Mu-type opioid receptor
Protein ID: PT01360, Nociceptin receptor