General Information of the Compound
| Compound ID |
CP0035232
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| Compound Name |
(+)-2-(3-{1-[3-(5-methoxy-2-methyl-phenoxy)-4-methyl-pentyl]-piperidin-4-yl}-2-oxo-2,3-dihydro-benzimidazol-1-yl)-N-methyl-acetamide
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| Structure |
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| Formula |
C29H40N4O4
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| Molecular Weight |
508.663
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| Canonical SMILES |
CNC(=O)Cn1c2ccccc2n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O
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| InChI |
InChI=1S/C29H40N4O4/c1-20(2)26(37-27-18-23(36-5)11-10-21(27)3)14-17-31-15-12-22(13-16-31)33-25-9-7-6-8-24(25)32(29(33)35)19-28(34)30-4/h6-11,18,20,22,26H,12-17,19H2,1-5H3,(H,30,34)
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| InChIKey |
OUDYUUVZVNMOPP-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
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2