General Information of the Compound
| Compound ID |
CP0904364
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| Compound Name |
4-(8-chloro-1-methyl-2,6-dioxo-1,2,6,7-tetrahydro-3H-purin-3-yl)butanenitrile
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| Structure |
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| Formula |
C10H10ClN5O2
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| Molecular Weight |
267.676
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| Canonical SMILES |
Cn1c(=O)c2[nH]c(Cl)nc2n(CCCC#N)c1=O
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| InChI |
InChI=1S/C10H10ClN5O2/c1-15-8(17)6-7(14-9(11)13-6)16(10(15)18)5-3-2-4-12/h2-3,5H2,1H3,(H,13,14)
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| InChIKey |
QLYOMZBBODOOKU-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