General Information of the Compound
| Compound ID |
CP0559516
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| Compound Name |
2-[4-[[4-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-(4-propan-2-ylphenyl)acetamide
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| Structure |
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| Formula |
C32H38N10O
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| Molecular Weight |
578.725
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| Canonical SMILES |
CC(C)c1ccc(NC(=O)Cc2ccc(Nc3nc(Nc4cc(C)n[nH]4)cc(n3)-c3cnn(CCN(C)C)c3)cc2)cc1
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| InChI |
InChI=1S/C32H38N10O/c1-21(2)24-8-12-26(13-9-24)34-31(43)17-23-6-10-27(11-7-23)35-32-36-28(25-19-33-42(20-25)15-14-41(4)5)18-29(38-32)37-30-16-22(3)39-40-30/h6-13,16,18-21H,14-15,17H2,1-5H3,(H,34,43)(H3,35,36,37,38,39,40)
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| InChIKey |
OYQGBGQHUJGFFK-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