General Information of the Compound
| Compound ID |
CP0502536
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| Compound Name |
(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-purin-7-yl)-acetonitrile
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| Structure |
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| Formula |
C9H9N5O2
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| Molecular Weight |
219.204
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| Canonical SMILES |
Cn1c2ncn(CC#N)c2c(=O)n(C)c1=O
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| InChI |
InChI=1S/C9H9N5O2/c1-12-7-6(8(15)13(2)9(12)16)14(4-3-10)5-11-7/h5H,4H2,1-2H3
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| InChIKey |
JKVAWOOMPGXBKF-UHFFFAOYSA-N
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| CAS |
39908-33-3
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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