General Information of the Compound
| Compound ID |
CP0444889
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| Compound Name |
N-cyclobutyl-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 |
C32H44N4O4
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| Molecular Weight |
548.728
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| Canonical SMILES |
COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(CC(=O)NC3CCC3)c2=O)C(C)C)c1
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| InChI |
InChI=1S/C32H44N4O4/c1-22(2)29(40-30-20-26(39-4)13-12-23(30)3)16-19-34-17-14-25(15-18-34)36-28-11-6-5-10-27(28)35(32(36)38)21-31(37)33-24-8-7-9-24/h5-6,10-13,20,22,24-25,29H,7-9,14-19,21H2,1-4H3,(H,33,37)
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| InChIKey |
IZLXVYJVHKKNIP-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