General Information of the Compound
| Compound ID |
CP0426390
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| Compound Name |
8-(1-but-2-ynylpyrazol-4-yl)-1,3-dipropyl-7H-purine-2,6-dione
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| Structure |
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| Formula |
C18H22N6O2
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| Molecular Weight |
354.414
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| Canonical SMILES |
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC#CC)c1
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| InChI |
InChI=1S/C18H22N6O2/c1-4-7-10-22-12-13(11-19-22)15-20-14-16(21-15)23(8-5-2)18(26)24(9-6-3)17(14)25/h11-12H,5-6,8-10H2,1-3H3,(H,20,21)
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| InChIKey |
XMUWSEDPMFHFQP-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