General Information of the Compound
| Compound ID |
CP0403626
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| Compound Name |
3-Isobutyl-1-(3-methyl-butyl)-8-phenyl-3,7-dihydro-purine-2,6-dione
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| Structure |
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| Formula |
C20H26N4O2
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| Molecular Weight |
354.454
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| Canonical SMILES |
CC(C)CCn1c(=O)n(CC(C)C)c2nc([nH]c2c1=O)-c1ccccc1
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| InChI |
InChI=1S/C20H26N4O2/c1-13(2)10-11-23-19(25)16-18(24(20(23)26)12-14(3)4)22-17(21-16)15-8-6-5-7-9-15/h5-9,13-14H,10-12H2,1-4H3,(H,21,22)
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| InChIKey |
XNCIQXPNALANLZ-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