General Information of the Compound
| Compound ID |
CP0221378
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| Compound Name |
(+)-1-(2-methoxy-ethyl)-3-{1-[3-(5-methoxy-2-methyl-phenoxy)-4-methyl-pentyl]-piperidin-4-yl}-1,3-dihydro-benzimidazol-2-one
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| Structure |
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| Formula |
C29H41N3O4
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| Molecular Weight |
495.664
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| Canonical SMILES |
COCCn1c2ccccc2n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O
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| InChI |
InChI=1S/C29H41N3O4/c1-21(2)27(36-28-20-24(35-5)11-10-22(28)3)14-17-30-15-12-23(13-16-30)32-26-9-7-6-8-25(26)31(29(32)33)18-19-34-4/h6-11,20-21,23,27H,12-19H2,1-5H3
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| InChIKey |
LTMJVVWUKDXQNB-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