General Information of the Compound
| Compound ID |
CP0541175
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| Compound Name |
4-[4-[2-[5-amino-8-(furan-2-yl)-1-methyl-2-oxo-[1,2,4]triazolo[5,1-f]purin-3-yl]ethyl]piperazin-1-yl]-2-fluorobenzonitrile
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| Structure |
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| Formula |
C24H23FN10O2
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| Molecular Weight |
502.514
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| Canonical SMILES |
Cn1c2c(nc(N)n3nc(nc23)-c2ccco2)n(CCN2CCN(CC2)c2ccc(C#N)c(F)c2)c1=O
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| InChI |
InChI=1S/C24H23FN10O2/c1-31-19-21(29-23(27)35-22(19)28-20(30-35)18-3-2-12-37-18)34(24(31)36)11-8-32-6-9-33(10-7-32)16-5-4-15(14-26)17(25)13-16/h2-5,12-13H,6-11H2,1H3,(H2,27,29)
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| InChIKey |
UBIUQCJGWPZWLC-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