General Information of the Compound
| Compound ID |
CP0858042
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| Compound Name |
[8-chloro-3-(2-cyclopropylethyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl]acetonitrile
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| Structure |
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| Formula |
C12H12ClN5O2
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| Molecular Weight |
293.714
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| Canonical SMILES |
N#CCn1c(=O)c2[nH]c(Cl)nc2n(CCC2CC2)c1=O
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| InChI |
InChI=1S/C12H12ClN5O2/c13-11-15-8-9(16-11)17(5-3-7-1-2-7)12(20)18(6-4-14)10(8)19/h7H,1-3,5-6H2,(H,15,16)
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| InChIKey |
YYLWXJOBNQSGDN-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