General Information of the Compound
| Compound ID |
CP0185592
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| Compound Name |
1-[(3-naphthalen-2-yl)-(1,2,4-triazol-4-yl) ]-3-phenol
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| Structure |
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| Formula |
C18H13N3O
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| Molecular Weight |
287.322
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| Canonical SMILES |
Oc1cccc(c1)-n1cnnc1-c1ccc2ccccc2c1
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| InChI |
InChI=1S/C18H13N3O/c22-17-7-3-6-16(11-17)21-12-19-20-18(21)15-9-8-13-4-1-2-5-14(13)10-15/h1-12,22H
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| InChIKey |
VVFHMZNOUZIYLJ-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