General Information of the Compound
| Compound ID |
CP0504997
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| Compound Name |
2-(3,4-difluorophenyl)-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide
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| Structure |
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| Formula |
C22H19F2N5O2
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| Molecular Weight |
423.423
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| Canonical SMILES |
Cc1cc(C)n(n1)-c1cc(NC(=O)Cc2ccc(F)c(F)c2)nc(n1)-c1ccc(C)o1
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| InChI |
InChI=1S/C22H19F2N5O2/c1-12-8-13(2)29(28-12)20-11-19(26-22(27-20)18-7-4-14(3)31-18)25-21(30)10-15-5-6-16(23)17(24)9-15/h4-9,11H,10H2,1-3H3,(H,25,26,27,30)
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| InChIKey |
RSMDEAIXWSAVMJ-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