General Information of the Compound
| Compound ID |
CP0309913
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| Compound Name |
5-Butyl-8-(4-tert-butyl-phenyl)-3H-[1,2,4]triazolo[5,1-i]purine
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| Structure |
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| Formula |
C20H24N6
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| Molecular Weight |
348.454
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| Canonical SMILES |
CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(cc1)C(C)(C)C
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| InChI |
InChI=1S/C20H24N6/c1-5-6-7-15-23-18-16(21-12-22-18)19-24-17(25-26(15)19)13-8-10-14(11-9-13)20(2,3)4/h8-12H,5-7H2,1-4H3,(H,21,22)
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| InChIKey |
IOBZVVSBEAFOGH-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