General Information of the Compound
| Compound ID |
CP0896539
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| Compound Name |
4-(8-chloro-2,6-dioxo-1,2,6,7-tetrahydro-3H-purin-3-yl)butanenitrile
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| Structure |
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| Formula |
C9H8ClN5O2
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| Molecular Weight |
253.649
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| Canonical SMILES |
N#CCCCn1c(=O)[nH]c(=O)c2[nH]c(Cl)nc21
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| InChI |
InChI=1S/C9H8ClN5O2/c10-8-12-5-6(13-8)15(4-2-1-3-11)9(17)14-7(5)16/h1-2,4H2,(H,12,13)(H,14,16,17)
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| InChIKey |
FVDILCKBVWGHBN-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