General Information of the Compound
| Compound ID |
CP0885838
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| Compound Name |
4-Amino-N-[5-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-1-methyl-1H-pyrazol-3-yl]-butyramide hydrochloride
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| Structure |
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| Formula |
C19H29ClN8O3
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| Molecular Weight |
452.947
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| Canonical SMILES |
CCCn1c(=O)c2nc(-c3cc(NC(=O)CCCN)nn3C)[nH]c2n(CCC)c1=O.Cl
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| InChI |
InChI=1S/C19H28N8O3.ClH/c1-4-9-26-17-15(18(29)27(10-5-2)19(26)30)22-16(23-17)12-11-13(24-25(12)3)21-14(28)7-6-8-20;/h11H,4-10,20H2,1-3H3,(H,22,23)(H,21,24,28);1H
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| InChIKey |
DKOPIZMDPYEJLD-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