General Information of the Compound
| Compound ID |
CP0400830
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| Compound Name |
6-[4-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]phenoxy]pyridine-3-carboxamide
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| Structure |
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| Formula |
C22H22N4O2
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| Molecular Weight |
374.444
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| Canonical SMILES |
NC(=O)c1ccc(Oc2ccc(CN3CCCC3c3cccnc3)cc2)nc1
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| InChI |
InChI=1S/C22H22N4O2/c23-22(27)18-7-10-21(25-14-18)28-19-8-5-16(6-9-19)15-26-12-2-4-20(26)17-3-1-11-24-13-17/h1,3,5-11,13-14,20H,2,4,12,15H2,(H2,23,27)
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| InChIKey |
WWTONVSYAJGFBT-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: PT01200, Delta-type opioid receptor
Protein ID: PT00983, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor