General Information of the Compound
| Compound ID |
CP0215389
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| Compound Name |
1-{3-[4-(tert-butyl)phenyl]-5-N,N-dimethylamino-(1,2,4-triazol-4-yl)}-3-methoxybenzene
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| Structure |
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| Formula |
C21H26N4O
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| Molecular Weight |
350.466
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| Canonical SMILES |
COc1cccc(c1)-n1c(nnc1-c1ccc(cc1)C(C)(C)C)N(C)C
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| InChI |
InChI=1S/C21H26N4O/c1-21(2,3)16-12-10-15(11-13-16)19-22-23-20(24(4)5)25(19)17-8-7-9-18(14-17)26-6/h7-14H,1-6H3
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| InChIKey |
KMHZSWOKFAORBT-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