General Information of the Compound
| Compound ID |
CP0509963
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| Compound Name |
2-(cyclopropylamino)-7-(2-fluoro-6-methoxybenzyl)-9-(3-methoxyphenyl)-7H-purin-8(9H)-one
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| Structure |
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| Formula |
C23H22FN5O3
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| Molecular Weight |
435.459
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| Canonical SMILES |
COc1cccc(c1)-n1c2nc(NC3CC3)ncc2n(Cc2c(F)cccc2OC)c1=O
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| InChI |
InChI=1S/C23H22FN5O3/c1-31-16-6-3-5-15(11-16)29-21-19(12-25-22(27-21)26-14-9-10-14)28(23(29)30)13-17-18(24)7-4-8-20(17)32-2/h3-8,11-12,14H,9-10,13H2,1-2H3,(H,25,26,27)
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| InChIKey |
QCPZDWSHEPNHDV-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