General Information of the Compound
| Compound ID |
CP0541172
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| Compound Name |
5-amino-8-(furan-2-yl)-3-[2-[4-(6-methoxypyridin-3-yl)piperazin-1-yl]ethyl]-1-methyl-[1,2,4]triazolo[5,1-f]purin-2-one
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| Structure |
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| Formula |
C23H26N10O3
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| Molecular Weight |
490.528
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| Canonical SMILES |
COc1ccc(cn1)N1CCN(CCn2c3nc(N)n4nc(nc4c3n(C)c2=O)-c2ccco2)CC1
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| InChI |
InChI=1S/C23H26N10O3/c1-29-18-20(27-22(24)33-21(18)26-19(28-33)16-4-3-13-36-16)32(23(29)34)12-9-30-7-10-31(11-8-30)15-5-6-17(35-2)25-14-15/h3-6,13-14H,7-12H2,1-2H3,(H2,24,27)
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| InChIKey |
ABSWGCNVJMJCLU-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