General Information of the Compound
| Compound ID |
CP0393010
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| Compound Name |
4-[6-(cyclopentylamino)-9-methylpurin-8-yl]benzoic acid
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| Structure |
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| Formula |
C18H19N5O2
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| Molecular Weight |
337.383
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| Canonical SMILES |
Cn1c(nc2c(NC3CCCC3)ncnc12)-c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C18H19N5O2/c1-23-16(11-6-8-12(9-7-11)18(24)25)22-14-15(19-10-20-17(14)23)21-13-4-2-3-5-13/h6-10,13H,2-5H2,1H3,(H,24,25)(H,19,20,21)
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| InChIKey |
LZRUOHXWFCFBQE-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: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3