General Information of the Compound
| Compound ID |
CP0296906
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| Compound Name |
2-(3-{1-[3-(5-methoxy-2-methyl-phenoxy)-4-methylpentyl]-piperidin-4-yl}-2-oxo-2,3-dihydro-benzimidazol-1-yl)-acetamide
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| Structure |
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| Formula |
C28H38N4O4
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| Molecular Weight |
494.636
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| Canonical SMILES |
COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(CC(N)=O)c2=O)C(C)C)c1
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| InChI |
InChI=1S/C28H38N4O4/c1-19(2)25(36-26-17-22(35-4)10-9-20(26)3)13-16-30-14-11-21(12-15-30)32-24-8-6-5-7-23(24)31(28(32)34)18-27(29)33/h5-10,17,19,21,25H,11-16,18H2,1-4H3,(H2,29,33)
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| InChIKey |
CDYNZSOUMBLDST-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: PT01200, Delta-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor
Protein ID: PT01360, Nociceptin receptor