General Information of the Compound
| Compound ID |
CP0921362
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| Compound Name |
5-(tert-Butyl)-N-(4-methyl-3-((1-nicotinoylpiperidin-4-yl)oxy)-phenyl)isoxazole-3-carboxamide
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| Structure |
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| Formula |
C26H30N4O4
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| Molecular Weight |
462.55
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| Canonical SMILES |
Cc1ccc(NC(=O)c2cc(C(C)(C)C)on2)cc1OC1CCN(C(=O)c2cccnc2)CC1
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| InChI |
InChI=1S/C26H30N4O4/c1-17-7-8-19(28-24(31)21-15-23(34-29-21)26(2,3)4)14-22(17)33-20-9-12-30(13-10-20)25(32)18-6-5-11-27-16-18/h5-8,11,14-16,20H,9-10,12-13H2,1-4H3,(H,28,31)
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| InChIKey |
MHWZNWQBVQAHCK-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