General Information of the Compound
| Compound ID |
CP0160715
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| Compound Name |
1-{3-[3-(tert-butyl) phenyl]-5-N,N-dimethylamino-(1,2,4-triazol-4-yl) }-3-phenol
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| Structure |
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| Formula |
C20H24N4O
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| Molecular Weight |
336.439
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| Canonical SMILES |
CN(C)c1nnc(-c2cccc(c2)C(C)(C)C)n1-c1cccc(O)c1
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| InChI |
InChI=1S/C20H24N4O/c1-20(2,3)15-9-6-8-14(12-15)18-21-22-19(23(4)5)24(18)16-10-7-11-17(25)13-16/h6-13,25H,1-5H3
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| InChIKey |
LSXXGRSRXNOSOV-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