General Information of the Compound
| Compound ID |
CP0449374
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| Compound Name |
1-{1-[3-(2-Chloro-5-methyl-phenoxy)-2-hydroxy-hexyl]-piperidin-4-yl}-1,3-dihydro-benzoimidazol-2-one
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| Structure |
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| Formula |
C25H32ClN3O3
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| Molecular Weight |
458.002
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| Canonical SMILES |
CCCC(Oc1cc(C)ccc1Cl)C(O)CN1CCC(CC1)n1c2ccccc2[nH]c1=O
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| InChI |
InChI=1S/C25H32ClN3O3/c1-3-6-23(32-24-15-17(2)9-10-19(24)26)22(30)16-28-13-11-18(12-14-28)29-21-8-5-4-7-20(21)27-25(29)31/h4-5,7-10,15,18,22-23,30H,3,6,11-14,16H2,1-2H3,(H,27,31)
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| InChIKey |
AZPDSENEWXRPQS-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