General Information of the Compound
| Compound ID |
CP0492761
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| Compound Name |
2-(2-chloropyridin-3-yl)oxy-8-cyclopentyl-1-propyl-7H-purin-6-one
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| Structure |
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| Formula |
C18H20ClN5O2
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| Molecular Weight |
373.844
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| Canonical SMILES |
CCCn1c(Oc2cccnc2Cl)nc2nc([nH]c2c1=O)C1CCCC1
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| InChI |
InChI=1S/C18H20ClN5O2/c1-2-10-24-17(25)13-16(22-15(21-13)11-6-3-4-7-11)23-18(24)26-12-8-5-9-20-14(12)19/h5,8-9,11H,2-4,6-7,10H2,1H3,(H,21,22)
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| InChIKey |
SODZKTNLMCRZJK-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