General Information of the Compound
| Compound ID |
CP0461088
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| Compound Name |
1-(1-Phenyl-2-pyrrolidin-1-yl-ethyl)-3-(4-trifluoromethyl-phenylamino)-1H-pyridin-2-one
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| Structure |
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| Formula |
C24H24F3N3O
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| Molecular Weight |
427.47
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| Canonical SMILES |
FC(F)(F)c1ccc(Nc2cccn(C(CN3CCCC3)c3ccccc3)c2=O)cc1
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| InChI |
InChI=1S/C24H24F3N3O/c25-24(26,27)19-10-12-20(13-11-19)28-21-9-6-16-30(23(21)31)22(17-29-14-4-5-15-29)18-7-2-1-3-8-18/h1-3,6-13,16,22,28H,4-5,14-15,17H2
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| InChIKey |
YDERVMVDVJLMFH-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