General Information of the Compound
| Compound ID |
CP0865038
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| Compound Name |
8-chloro-3-(2-cyclopropylethyl)-3,7-dihydro-1H-purine-2,6-dione
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| Structure |
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| Formula |
C10H11ClN4O2
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| Molecular Weight |
254.677
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| Canonical SMILES |
O=c1[nH]c(=O)n(CCC2CC2)c2nc(Cl)[nH]c12
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| InChI |
InChI=1S/C10H11ClN4O2/c11-9-12-6-7(13-9)15(4-3-5-1-2-5)10(17)14-8(6)16/h5H,1-4H2,(H,12,13)(H,14,16,17)
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| InChIKey |
QQXWQTCMAPWGJA-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