General Information of the Compound
| Compound ID |
CP0436481
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| Compound Name |
1-{1-[4-Methyl-3-(2-trifluoromethyl-phenoxy)-pentyl]-piperidin-4-yl}-1,3-dihydro-benzoimidazol-2-one
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| Structure |
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| Formula |
C25H30F3N3O2
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| Molecular Weight |
461.528
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| Canonical SMILES |
CC(C)C(CCN1CCC(CC1)n1c2ccccc2[nH]c1=O)Oc1ccccc1C(F)(F)F
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| InChI |
InChI=1S/C25H30F3N3O2/c1-17(2)22(33-23-10-6-3-7-19(23)25(26,27)28)13-16-30-14-11-18(12-15-30)31-21-9-5-4-8-20(21)29-24(31)32/h3-10,17-18,22H,11-16H2,1-2H3,(H,29,32)
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| InChIKey |
YZMDJCYFVDZWAD-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