General Information of the Compound
| Compound ID |
CP0546340
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| Compound Name |
2-amino-4-(5-methylfuran-2-yl)-8-[[3-(trifluoromethyl)phenyl]methyl]pteridin-7-one
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| Structure |
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| Formula |
C19H14F3N5O2
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| Molecular Weight |
401.348
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| Canonical SMILES |
Cc1ccc(o1)-c1nc(N)nc2n(Cc3cccc(c3)C(F)(F)F)c(=O)cnc12
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| InChI |
InChI=1S/C19H14F3N5O2/c1-10-5-6-13(29-10)15-16-17(26-18(23)25-15)27(14(28)8-24-16)9-11-3-2-4-12(7-11)19(20,21)22/h2-8H,9H2,1H3,(H2,23,25,26)
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| InChIKey |
BWRDLKUFCGFHSO-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