General Information of the Compound
| Compound ID |
CP0286275
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| Compound Name |
N-[3-[(2-acetamido-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)amino]-4-methylphenyl]-3-(2-cyano-2-methylpropyl)benzamide
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| Structure |
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| Formula |
C26H25N7O2S
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| Molecular Weight |
499.6
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| Canonical SMILES |
CC(=O)Nc1nc2cnc(Nc3cc(NC(=O)c4cccc(CC(C)(C)C#N)c4)ccc3C)nc2s1
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| InChI |
InChI=1S/C26H25N7O2S/c1-15-8-9-19(30-22(35)18-7-5-6-17(10-18)12-26(3,4)14-27)11-20(15)31-24-28-13-21-23(33-24)36-25(32-21)29-16(2)34/h5-11,13H,12H2,1-4H3,(H,30,35)(H,28,31,33)(H,29,32,34)
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| InChIKey |
INZKYFAYQUYDOC-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