General Information of the Compound
| Compound ID |
CP0574279
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| Compound Name |
2-tert-butyl-N-[[2-methyl-4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]pyrimidin-4-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide
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| Structure |
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| Formula |
C23H25N7OS2
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| Molecular Weight |
479.635
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| Canonical SMILES |
Cc1nnc(Nc2nccc(n2)-c2ccc(CNC(=O)c3cnc(s3)C(C)(C)C)c(C)c2)s1
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| InChI |
InChI=1S/C23H25N7OS2/c1-13-10-15(17-8-9-24-21(27-17)28-22-30-29-14(2)32-22)6-7-16(13)11-25-19(31)18-12-26-20(33-18)23(3,4)5/h6-10,12H,11H2,1-5H3,(H,25,31)(H,24,27,28,30)
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| InChIKey |
QRSVEFILWKCRMU-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