General Information of the Compound
| Compound ID |
CP0382639
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| Compound Name |
N-benzyl-2-[3-[1-[3-(5-methoxy-2-methylphenoxy)-4-methylpentyl]piperidin-4-yl]-2-oxobenzimidazol-1-yl]acetamide
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| Structure |
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| Formula |
C35H44N4O4
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| Molecular Weight |
584.761
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| Canonical SMILES |
COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(CC(=O)NCc3ccccc3)c2=O)C(C)C)c1
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| InChI |
InChI=1S/C35H44N4O4/c1-25(2)32(43-33-22-29(42-4)15-14-26(33)3)18-21-37-19-16-28(17-20-37)39-31-13-9-8-12-30(31)38(35(39)41)24-34(40)36-23-27-10-6-5-7-11-27/h5-15,22,25,28,32H,16-21,23-24H2,1-4H3,(H,36,40)
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| InChIKey |
ISDZBFORXHKYAN-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