General Information of the Compound
| Compound ID |
CP0517613
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| Compound Name |
2-(4-chlorophenyl)-6-(4-methylpiperazin-1-yl)-7H-purine
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| Structure |
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| Formula |
C16H17ClN6
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| Molecular Weight |
328.807
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| Canonical SMILES |
CN1CCN(CC1)c1nc(nc2[nH]cnc12)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C16H17ClN6/c1-22-6-8-23(9-7-22)16-13-15(19-10-18-13)20-14(21-16)11-2-4-12(17)5-3-11/h2-5,10H,6-9H2,1H3,(H,18,19,20,21)
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| InChIKey |
QAVXOUMTNXHKLA-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
Protein ID: PT00840, Adenosine receptor A1
Protein ID: PT01279, Adenosine receptor A3