General Information of the Compound
| Compound ID |
CP0404629
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| Compound Name |
6-{1-[2-Oxo-3-(4-trifluoromethyl-phenyl)-2H-pyridin-1-yl]-2-pyrrolidin-1-yl-ethyl}-4H-benzo[1,4]oxazin-3-one
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| Structure |
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| Formula |
C26H24F3N3O3
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| Molecular Weight |
483.49
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| Canonical SMILES |
FC(F)(F)c1ccc(cc1)-c1cccn(C(CN2CCCC2)c2ccc3OCC(=O)Nc3c2)c1=O
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| InChI |
InChI=1S/C26H24F3N3O3/c27-26(28,29)19-8-5-17(6-9-19)20-4-3-13-32(25(20)34)22(15-31-11-1-2-12-31)18-7-10-23-21(14-18)30-24(33)16-35-23/h3-10,13-14,22H,1-2,11-12,15-16H2,(H,30,33)
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| InChIKey |
UNJYQCNNMVPFQL-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