General Information of the Compound
| Compound ID |
CP0407413
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| Compound Name |
(2-methoxyphenyl)-[1-(4-propan-2-ylphenyl)triazol-4-yl]methanone
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| Structure |
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| Formula |
C19H19N3O2
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| Molecular Weight |
321.38
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| Canonical SMILES |
COc1ccccc1C(=O)c1cn(nn1)-c1ccc(cc1)C(C)C
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| InChI |
InChI=1S/C19H19N3O2/c1-13(2)14-8-10-15(11-9-14)22-12-17(20-21-22)19(23)16-6-4-5-7-18(16)24-3/h4-13H,1-3H3
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| InChIKey |
GOEIDIVFRPBPBV-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