General Information of the Compound
| Compound ID |
CP0456162
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| Compound Name |
6-(4-Amino-phenyl)-5-hydroxy-1,3-dipropyl-1H-pyrrolo-[3,2-d]pyrimidine-2,4(3H,5H)-dione
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| Structure |
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| Formula |
C18H22N4O3
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| Molecular Weight |
342.399
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| Canonical SMILES |
CCCn1c2cc(-c3ccc(N)cc3)n(O)c2c(=O)n(CCC)c1=O
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| InChI |
InChI=1S/C18H22N4O3/c1-3-9-20-15-11-14(12-5-7-13(19)8-6-12)22(25)16(15)17(23)21(10-4-2)18(20)24/h5-8,11,25H,3-4,9-10,19H2,1-2H3
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| InChIKey |
FWQLXYWLYBRNKT-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: PT00862, Adenosine receptor A2a
Protein ID: PT01278, Adenosine receptor A2b