General Information of the Compound
| Compound ID |
CP0373434
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| Compound Name |
N-(4-chlorophenyl)-2-[3-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-5-ethylpyrazol-1-yl]acetamide
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| Structure |
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| Formula |
C24H28ClN7O3
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| Molecular Weight |
497.987
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| Canonical SMILES |
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(CC)n(CC(=O)Nc2ccc(Cl)cc2)n1
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| InChI |
InChI=1S/C24H28ClN7O3/c1-4-11-30-22-20(23(34)31(12-5-2)24(30)35)27-21(28-22)18-13-17(6-3)32(29-18)14-19(33)26-16-9-7-15(25)8-10-16/h7-10,13H,4-6,11-12,14H2,1-3H3,(H,26,33)(H,27,28)
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| InChIKey |
XXXANYFKSJKWQV-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