General Information of the Compound
| Compound ID |
CP0541144
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| Compound Name |
5-amino-8-(furan-2-yl)-3-[2-[4-(4-methoxyphenyl)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 |
C24H27N9O3
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| Molecular Weight |
489.54
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| Canonical SMILES |
COc1ccc(cc1)N1CCN(CCn2c3nc(N)n4nc(nc4c3n(C)c2=O)-c2ccco2)CC1
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| InChI |
InChI=1S/C24H27N9O3/c1-29-19-21(27-23(25)33-22(19)26-20(28-33)18-4-3-15-36-18)32(24(29)34)14-11-30-9-12-31(13-10-30)16-5-7-17(35-2)8-6-16/h3-8,15H,9-14H2,1-2H3,(H2,25,27)
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| InChIKey |
LPZMPIQUFFANFR-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