General Information of the Compound
| Compound ID |
CP0402337
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| Compound Name |
1-(2-[1,2]Diazepin-1-yl-1-phenyl-ethyl)-3-(4-trifluoromethyl-phenyl)-1H-pyridin-2-one
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| Structure |
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| Formula |
C25H20F3N3O
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| Molecular Weight |
435.449
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| Canonical SMILES |
FC(F)(F)c1ccc(cc1)-c1cccn(C(CN2C=CC=CC=N2)c2ccccc2)c1=O
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| InChI |
InChI=1S/C25H20F3N3O/c26-25(27,28)21-13-11-19(12-14-21)22-10-7-17-31(24(22)32)23(20-8-3-1-4-9-20)18-30-16-6-2-5-15-29-30/h1-17,23H,18H2
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| InChIKey |
YITOFYWWKAQJCU-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