General Information of the Compound
| Compound ID |
CP0375526
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| Compound Name |
2-(2-tert-butylphenoxy)-N-(1-methyl-5-phenylpyrazol-3-yl)pyridin-3-amine
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| Structure |
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| Formula |
C25H26N4O
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| Molecular Weight |
398.51
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| Canonical SMILES |
Cn1nc(Nc2cccnc2Oc2ccccc2C(C)(C)C)cc1-c1ccccc1
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| InChI |
InChI=1S/C25H26N4O/c1-25(2,3)19-13-8-9-15-22(19)30-24-20(14-10-16-26-24)27-23-17-21(29(4)28-23)18-11-6-5-7-12-18/h5-17H,1-4H3,(H,27,28)
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| InChIKey |
KLXWFRDIQNBUAC-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