General Information of the Compound
| Compound ID |
CP0454095
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| Compound Name |
2-(2-tert-butylphenoxy)-N-(5-phenyl-1H-pyrazol-3-yl)pyridin-3-amine
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| Structure |
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| Formula |
C24H24N4O
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| Molecular Weight |
384.483
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| Canonical SMILES |
CC(C)(C)c1ccccc1Oc1ncccc1Nc1cc(n[nH]1)-c1ccccc1
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| InChI |
InChI=1S/C24H24N4O/c1-24(2,3)18-12-7-8-14-21(18)29-23-19(13-9-15-25-23)26-22-16-20(27-28-22)17-10-5-4-6-11-17/h4-16H,1-3H3,(H2,26,27,28)
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| InChIKey |
YSMXSXSNGQOAEB-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