General Information of the Compound
| Compound ID |
CP0573837
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| Compound Name |
N-(5-tert-butyl-2-methylpyrazol-3-yl)-2-[4-[[4-(1-methylpyrazol-4-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetamide
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| Structure |
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| Formula |
C28H33N11O
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| Molecular Weight |
539.648
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| Canonical SMILES |
Cc1cc(Nc2cc(nc(Nc3ccc(CC(=O)Nc4cc(nn4C)C(C)(C)C)cc3)n2)-c2cnn(C)c2)[nH]n1
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| InChI |
InChI=1S/C28H33N11O/c1-17-11-24(36-35-17)32-23-13-21(19-15-29-38(5)16-19)31-27(33-23)30-20-9-7-18(8-10-20)12-26(40)34-25-14-22(28(2,3)4)37-39(25)6/h7-11,13-16H,12H2,1-6H3,(H,34,40)(H3,30,31,32,33,35,36)
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| InChIKey |
KNTAWIKHUQRRKY-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