General Information of the Compound
| Compound ID |
CP0952105
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| Compound Name |
6-(8-Chloro-2,6-dioxo-1,2,6,7-tetrahydro-3H-purin-3-yl)-2,2-dimethylhexanenitrile
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| Structure |
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| Formula |
C13H16ClN5O2
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| Molecular Weight |
309.757
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| Canonical SMILES |
CC(C)(C#N)CCCCn1c(=O)[nH]c(=O)c2[nH]c(Cl)nc21
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| InChI |
InChI=1S/C13H16ClN5O2/c1-13(2,7-15)5-3-4-6-19-9-8(16-11(14)17-9)10(20)18-12(19)21/h3-6H2,1-2H3,(H,16,17)(H,18,20,21)
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| InChIKey |
YJFHPKGUSJYLOC-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