General Information of the Compound
| Compound ID |
CP0575211
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| Compound Name |
N-(2-fluorophenyl)-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 |
C26H24FN9O
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| Molecular Weight |
497.538
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| Canonical SMILES |
Cc1cc(Nc2cc(nc(Nc3ccc(CC(=O)Nc4ccccc4F)cc3)n2)-c2cnn(C)c2)[nH]n1
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| InChI |
InChI=1S/C26H24FN9O/c1-16-11-24(35-34-16)32-23-13-22(18-14-28-36(2)15-18)31-26(33-23)29-19-9-7-17(8-10-19)12-25(37)30-21-6-4-3-5-20(21)27/h3-11,13-15H,12H2,1-2H3,(H,30,37)(H3,29,31,32,33,34,35)
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| InChIKey |
FUTQAGPRSJHPBK-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