General Information of the Compound
| Compound ID |
CP0377683
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| Compound Name |
1-Ethyl-8-(4-(piperidine-1-sulfonyl)phenyl)-3,7-dihydropurine-2,6-dione
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| Structure |
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| Formula |
C18H21N5O4S
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| Molecular Weight |
403.464
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| Canonical SMILES |
CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCCCC1
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| InChI |
InChI=1S/C18H21N5O4S/c1-2-23-17(24)14-16(21-18(23)25)20-15(19-14)12-6-8-13(9-7-12)28(26,27)22-10-4-3-5-11-22/h6-9H,2-5,10-11H2,1H3,(H,19,20)(H,21,25)
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| InChIKey |
JKBIJOCWXVYBKY-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: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3