General Information of the Compound
| Compound ID |
CP0551513
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| Compound Name |
2-amino-4-(5-methylfuran-2-yl)-8-[2-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]pteridin-7-one
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| Structure |
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| Formula |
C24H24F3N7O2
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| Molecular Weight |
499.497
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| Canonical SMILES |
Cc1ccc(o1)-c1nc(N)nc2n(CCN3CCN(CC3)c3ccccc3C(F)(F)F)c(=O)cnc12
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| InChI |
InChI=1S/C24H24F3N7O2/c1-15-6-7-18(36-15)20-21-22(31-23(28)30-20)34(19(35)14-29-21)13-10-32-8-11-33(12-9-32)17-5-3-2-4-16(17)24(25,26)27/h2-7,14H,8-13H2,1H3,(H2,28,30,31)
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| InChIKey |
KWJKPLCPIYQPRR-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