General Information of the Compound
| Compound ID |
CP0945618
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| Compound Name |
1-Methyl-2,6-dioxo-3-pentyl-2,3,6,7-tetrahydro-1H-purine-8-carbonitrile
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| Structure |
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| Formula |
C12H15N5O2
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| Molecular Weight |
261.285
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| Canonical SMILES |
CCCCCn1c(=O)n(C)c(=O)c2[nH]c(C#N)nc21
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| InChI |
InChI=1S/C12H15N5O2/c1-3-4-5-6-17-10-9(14-8(7-13)15-10)11(18)16(2)12(17)19/h3-6H2,1-2H3,(H,14,15)
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| InChIKey |
WACZKVBRIJIHLS-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