General Information of the Compound
| Compound ID |
CP0558169
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| Compound Name |
5-amino-3-[2-[4-[3,5-difluoro-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-8-(furan-2-yl)-1-methyl-[1,2,4]triazolo[5,1-f]purin-2-one
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| Structure |
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| Formula |
C26H29F2N9O4
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| Molecular Weight |
569.573
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| Canonical SMILES |
COCCOc1c(F)cc(cc1F)N1CCN(CCn2c3nc(N)n4nc(nc4c3n(C)c2=O)-c2ccco2)CC1
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| InChI |
InChI=1S/C26H29F2N9O4/c1-33-20-23(31-25(29)37-24(20)30-22(32-37)19-4-3-11-40-19)36(26(33)38)10-7-34-5-8-35(9-6-34)16-14-17(27)21(18(28)15-16)41-13-12-39-2/h3-4,11,14-15H,5-10,12-13H2,1-2H3,(H2,29,31)
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| InChIKey |
CJVOWLOXUUZQRH-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