General Information of the Compound
| Compound ID |
CP0399718
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| Compound Name |
N-(2-hydroxyethyl)-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 |
C30H42N4O5
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| Molecular Weight |
538.689
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| Canonical SMILES |
COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(CC(=O)NCCO)c2=O)C(C)C)c1
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| InChI |
InChI=1S/C30H42N4O5/c1-21(2)27(39-28-19-24(38-4)10-9-22(28)3)13-17-32-15-11-23(12-16-32)34-26-8-6-5-7-25(26)33(30(34)37)20-29(36)31-14-18-35/h5-10,19,21,23,27,35H,11-18,20H2,1-4H3,(H,31,36)
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| InChIKey |
JFBYKJVFAILWGC-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