General Information of the Compound
| Compound ID |
CP0067293
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| Compound Name |
1-{3-[4-(tert-butyl)phenyl]-5-[(4-N-methyl)piperazin-1-yl]-(1,2,4-triazol-4-yl)}-3-phenol
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| Structure |
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| Formula |
C23H29N5O
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| Molecular Weight |
391.519
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| Canonical SMILES |
CN1CCN(CC1)c1nnc(-c2ccc(cc2)C(C)(C)C)n1-c1cccc(O)c1
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| InChI |
InChI=1S/C23H29N5O/c1-23(2,3)18-10-8-17(9-11-18)21-24-25-22(27-14-12-26(4)13-15-27)28(21)19-6-5-7-20(29)16-19/h5-11,16,29H,12-15H2,1-4H3
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| InChIKey |
OFQYESHFEQJLJU-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