General Information of the Compound
| Compound ID |
CP0489530
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| Compound Name |
N-methyl-2-[2-oxo-3-(1-spiro[5.5]undecan-4-ylpiperidin-4-yl)benzimidazol-1-yl]acetamide
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| Structure |
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| Formula |
C26H38N4O2
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| Molecular Weight |
438.616
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| Canonical SMILES |
CNC(=O)Cn1c2ccccc2n(C2CCN(CC2)C2CCCC3(CCCCC3)C2)c1=O
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| InChI |
InChI=1S/C26H38N4O2/c1-27-24(31)19-29-22-9-3-4-10-23(22)30(25(29)32)20-11-16-28(17-12-20)21-8-7-15-26(18-21)13-5-2-6-14-26/h3-4,9-10,20-21H,2,5-8,11-19H2,1H3,(H,27,31)
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| InChIKey |
BRUFUSCPTGDWCD-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