General Information of the Compound
| Compound ID |
CP0497242
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| Compound Name |
1-[1-(4-Methyl-3-o-tolyloxy-pentyl)-piperidin-4-yl]-1,3-dihydro-benzoimidazol-2-one
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| Structure |
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| Formula |
C25H33N3O2
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| Molecular Weight |
407.558
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| Canonical SMILES |
CC(C)C(CCN1CCC(CC1)n1c2ccccc2[nH]c1=O)Oc1ccccc1C
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| InChI |
InChI=1S/C25H33N3O2/c1-18(2)23(30-24-11-7-4-8-19(24)3)14-17-27-15-12-20(13-16-27)28-22-10-6-5-9-21(22)26-25(28)29/h4-11,18,20,23H,12-17H2,1-3H3,(H,26,29)
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| InChIKey |
AGLOLGURRWOWKK-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