General Information of the Compound
| Compound ID |
CP0493990
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| Compound Name |
1-benzyl-4-(3-phenoxypropyl)triazole
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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 |
C(COc1ccccc1)Cc1cn(Cc2ccccc2)nn1
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| InChI |
InChI=1S/C18H19N3O/c1-3-8-16(9-4-1)14-21-15-17(19-20-21)10-7-13-22-18-11-5-2-6-12-18/h1-6,8-9,11-12,15H,7,10,13-14H2
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| InChIKey |
QEMIBFSROWXPLM-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