General Information of the Compound
| Compound ID |
CP0412151
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| Compound Name |
N-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenyl]acetamide
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| Structure |
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| Formula |
C19H23N5O3
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| Molecular Weight |
369.425
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| Canonical SMILES |
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(NC(C)=O)cc1
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| InChI |
InChI=1S/C19H23N5O3/c1-4-10-23-17-15(18(26)24(11-5-2)19(23)27)21-16(22-17)13-6-8-14(9-7-13)20-12(3)25/h6-9H,4-5,10-11H2,1-3H3,(H,20,25)(H,21,22)
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| InChIKey |
KBKWBAQGXNNSST-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: PT01717, Adenosine receptor A1
Protein ID: PT01278, Adenosine receptor A2b