General Information of the Compound
| Compound ID |
CP0371958
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| Compound Name |
2-[3-[1-[3-(5-methoxy-2-methylphenoxy)-4-methylpentyl]piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-prop-2-enylacetamide
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| Structure |
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| Formula |
C31H42N4O4
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| Molecular Weight |
534.701
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| Canonical SMILES |
COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(CC(=O)NCC=C)c2=O)C(C)C)c1
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| InChI |
InChI=1S/C31H42N4O4/c1-6-16-32-30(36)21-34-26-9-7-8-10-27(26)35(31(34)37)24-13-17-33(18-14-24)19-15-28(22(2)3)39-29-20-25(38-5)12-11-23(29)4/h6-12,20,22,24,28H,1,13-19,21H2,2-5H3,(H,32,36)
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| InChIKey |
QNDUBQQKEYXAEX-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