General Information of the Compound
| Compound ID |
CP0491842
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| Compound Name |
2-(4-chlorophenyl)-6-piperidin-1-yl-7H-purine
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| Structure |
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| Formula |
C16H16ClN5
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| Molecular Weight |
313.792
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| Canonical SMILES |
Clc1ccc(cc1)-c1nc(N2CCCCC2)c2nc[nH]c2n1
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| InChI |
InChI=1S/C16H16ClN5/c17-12-6-4-11(5-7-12)14-20-15-13(18-10-19-15)16(21-14)22-8-2-1-3-9-22/h4-7,10H,1-3,8-9H2,(H,18,19,20,21)
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| InChIKey |
DGZWSPSJWMAWBF-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: PT00862, Adenosine receptor A2a
Protein ID: PT01279, Adenosine receptor A3