General Information of the Compound
| Compound ID |
CP0372918
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| Compound Name |
8-(1-benzyl-1H-pyrazol-4-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione
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| Structure |
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| Formula |
C16H14N6O2
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| Molecular Weight |
322.328
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| Canonical SMILES |
Cn1c2nc([nH]c2c(=O)[nH]c1=O)-c1cnn(Cc2ccccc2)c1
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| InChI |
InChI=1S/C16H14N6O2/c1-21-14-12(15(23)20-16(21)24)18-13(19-14)11-7-17-22(9-11)8-10-5-3-2-4-6-10/h2-7,9H,8H2,1H3,(H,18,19)(H,20,23,24)
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| InChIKey |
ZZJVLBUDTBEOFR-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