General Information of the Compound
| Compound ID |
CP0903239
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| Compound Name |
(8-chloro-2,6-dioxo-3-propyl-2,3,6,7-tetrahydro-1H-purin-1-yl)acetonitrile
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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 |
CCCn1c(=O)n(CC#N)c(=O)c2[nH]c(Cl)nc21
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| InChI |
InChI=1S/C10H10ClN5O2/c1-2-4-15-7-6(13-9(11)14-7)8(17)16(5-3-12)10(15)18/h2,4-5H2,1H3,(H,13,14)
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| InChIKey |
HMYGQWQDAVAJDU-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