General Information of the Compound
| Compound ID |
CP0579138
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| Compound Name |
2-[4-[[4-(1-methylpyrazol-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 |
C29H31N9O
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| Molecular Weight |
521.629
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| Canonical SMILES |
CC(C)c1ccc(NC(=O)Cc2ccc(Nc3nc(Nc4cc(C)n[nH]4)cc(n3)-c3cnn(C)c3)cc2)cc1
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| InChI |
InChI=1S/C29H31N9O/c1-18(2)21-7-11-23(12-8-21)31-28(39)14-20-5-9-24(10-6-20)32-29-33-25(22-16-30-38(4)17-22)15-26(35-29)34-27-13-19(3)36-37-27/h5-13,15-18H,14H2,1-4H3,(H,31,39)(H3,32,33,34,35,36,37)
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| InChIKey |
PUXKUKAJNLBSKU-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