General Information of the Compound
| Compound ID |
CP0083027
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| Compound Name |
1-{3-[3-(tert-butyl) phenyl]-(1,2,4-triazol-4-yl) }-3-phenol
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| Structure |
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| Formula |
C18H19N3O
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| Molecular Weight |
293.37
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| Canonical SMILES |
CC(C)(C)c1cccc(c1)-c1nncn1-c1cccc(O)c1
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| InChI |
InChI=1S/C18H19N3O/c1-18(2,3)14-7-4-6-13(10-14)17-20-19-12-21(17)15-8-5-9-16(22)11-15/h4-12,22H,1-3H3
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| InChIKey |
ADWNAWYRPYHKKB-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