General Information of the Compound
| Compound ID |
CP0403598
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| Compound Name |
6-(2-methyl-5-oxo-1H-pyrazol-3-yl)-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
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| Structure |
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| Formula |
C16H21N5O3
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| Molecular Weight |
331.376
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| Canonical SMILES |
CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1cc(=O)[nH]n1C
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| InChI |
InChI=1S/C16H21N5O3/c1-4-6-20-12-8-10(11-9-13(22)18-19(11)3)17-14(12)15(23)21(7-5-2)16(20)24/h8-9,17H,4-7H2,1-3H3,(H,18,22)
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| InChIKey |
XTPGQKWWIMCPGM-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