General Information of the Compound
| Compound ID |
CP0930887
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| Compound Name |
N-(4-fluorophenyl)-N'-(4-methoxyphenyl)-N''-(pyrimidin-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine
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| Structure |
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| Formula |
C21H19FN8O
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| Molecular Weight |
418.436
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| Canonical SMILES |
COc1ccc(Nc2nc(NCc3ncccn3)nc(Nc3ccc(F)cc3)n2)cc1
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| InChI |
InChI=1S/C21H19FN8O/c1-31-17-9-7-16(8-10-17)27-21-29-19(25-13-18-23-11-2-12-24-18)28-20(30-21)26-15-5-3-14(22)4-6-15/h2-12H,13H2,1H3,(H3,25,26,27,28,29,30)
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| InChIKey |
KNLBVCZPJANZEK-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