General Information of the Compound
| Compound ID |
CP0431140
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| Compound Name |
(2-methylphenyl)-[1-(4-propan-2-ylphenyl)triazol-4-yl]methanone
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| Structure |
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| Formula |
C19H19N3O
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| Molecular Weight |
305.381
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| Canonical SMILES |
CC(C)c1ccc(cc1)-n1cc(nn1)C(=O)c1ccccc1C
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| InChI |
InChI=1S/C19H19N3O/c1-13(2)15-8-10-16(11-9-15)22-12-18(20-21-22)19(23)17-7-5-4-6-14(17)3/h4-13H,1-3H3
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| InChIKey |
GITRXKMSHUQQGQ-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