General Information of the Compound
| Compound ID |
CP0858043
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| Compound Name |
1,3-dibutyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purine-8-carbonitrile
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| Structure |
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| Formula |
C14H19N5O2
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| Molecular Weight |
289.339
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| Canonical SMILES |
CCCCn1c(=O)c2[nH]c(C#N)nc2n(CCCC)c1=O
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| InChI |
InChI=1S/C14H19N5O2/c1-3-5-7-18-12-11(16-10(9-15)17-12)13(20)19(14(18)21)8-6-4-2/h3-8H2,1-2H3,(H,16,17)
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| InChIKey |
JBMMFWYMLAHLOD-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