General Information of the Compound
| Compound ID |
CP0405153
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| Compound Name |
8-(1-benzyl-1H-pyrazol-4-yl)-3-ethyl-1H-purine-2,6(3H,7H)-dione
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| Structure |
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| Formula |
C17H16N6O2
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| Molecular Weight |
336.355
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| Canonical SMILES |
CCn1c2nc([nH]c2c(=O)[nH]c1=O)-c1cnn(Cc2ccccc2)c1
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| InChI |
InChI=1S/C17H16N6O2/c1-2-23-15-13(16(24)21-17(23)25)19-14(20-15)12-8-18-22(10-12)9-11-6-4-3-5-7-11/h3-8,10H,2,9H2,1H3,(H,19,20)(H,21,24,25)
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| InChIKey |
GNRVZVXIQMSGSN-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