General Information of the Compound
| Compound ID |
CP0134941
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| Compound Name |
1-[3-(4-biphenyl)-5-N,N-dimethylamino-(1,2,4-triazol-4-yl) ]-3-phenol
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| Structure |
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| Formula |
C22H20N4O
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| Molecular Weight |
356.429
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| Canonical SMILES |
CN(C)c1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1cccc(O)c1
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| InChI |
InChI=1S/C22H20N4O/c1-25(2)22-24-23-21(26(22)19-9-6-10-20(27)15-19)18-13-11-17(12-14-18)16-7-4-3-5-8-16/h3-15,27H,1-2H3
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| InChIKey |
GYCSOBHVCMWJAF-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