General Information of the Compound
| Compound ID |
CP0558383
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| Compound Name |
6-[(4-fluorophenyl)methyl-methylamino]-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
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| Structure |
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| Formula |
C22H23FN4O2
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| Molecular Weight |
394.45
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| Canonical SMILES |
CC(C)Oc1ccc(NC(=O)c2cc(ncn2)N(C)Cc2ccc(F)cc2)cc1
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| InChI |
InChI=1S/C22H23FN4O2/c1-15(2)29-19-10-8-18(9-11-19)26-22(28)20-12-21(25-14-24-20)27(3)13-16-4-6-17(23)7-5-16/h4-12,14-15H,13H2,1-3H3,(H,26,28)
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| InChIKey |
VAXILCQJXAOMEM-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