General Information of the Compound
| Compound ID |
CP0431139
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| Compound Name |
2-[[1-(4-propan-2-ylphenyl)triazol-4-yl]methyl]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)c1ccc(cc1)-n1cc(Cc2ccccc2O)nn1
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| InChI |
InChI=1S/C18H19N3O/c1-13(2)14-7-9-17(10-8-14)21-12-16(19-20-21)11-15-5-3-4-6-18(15)22/h3-10,12-13,22H,11H2,1-2H3
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| InChIKey |
SXPUIVHUWRMLPP-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