General Information of the Compound
| Compound ID |
CP0564057
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| Compound Name |
2-tert-butyl-N-[[2-methyl-4-[2-[(3-methyl-1,2-oxazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide
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| Structure |
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| Formula |
C24H26N6O2S
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| Molecular Weight |
462.579
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| Canonical SMILES |
Cc1nocc1Nc1nccc(n1)-c1ccc(CNC(=O)c2cnc(s2)C(C)(C)C)c(C)c1
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| InChI |
InChI=1S/C24H26N6O2S/c1-14-10-16(18-8-9-25-23(28-18)29-19-13-32-30-15(19)2)6-7-17(14)11-26-21(31)20-12-27-22(33-20)24(3,4)5/h6-10,12-13H,11H2,1-5H3,(H,26,31)(H,25,28,29)
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| InChIKey |
SKNNFMDVIQSKOW-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