General Information of the Compound
| Compound ID |
CP0384355
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| Compound Name |
N-[3-(8-methoxy-2,4-dioxo-3-propylpurino[7,8-a]pyridin-1-yl)propyl]-4-methylsulfonylbenzamide
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| Structure |
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| Formula |
C24H27N5O6S
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| Molecular Weight |
513.576
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| Canonical SMILES |
CCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(C)(=O)=O)c2nc3cc(OC)ccn3c2c1=O
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| InChI |
InChI=1S/C24H27N5O6S/c1-4-12-29-23(31)20-21(26-19-15-17(35-2)10-14-27(19)20)28(24(29)32)13-5-11-25-22(30)16-6-8-18(9-7-16)36(3,33)34/h6-10,14-15H,4-5,11-13H2,1-3H3,(H,25,30)
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| InChIKey |
AASXHCGIIQCKEE-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