General Information of the Compound
| Compound ID |
CP0400826
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| Compound Name |
1-Ethyl-8-(4-(4-(4-methoxyphenyl)piperazine-1-sulfonyl)phenyl)-3,7-dihydropurine-2,6-dione
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| Structure |
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| Formula |
C24H26N6O5S
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| Molecular Weight |
510.576
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| Canonical SMILES |
CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(OC)cc1
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| InChI |
InChI=1S/C24H26N6O5S/c1-3-30-23(31)20-22(27-24(30)32)26-21(25-20)16-4-10-19(11-5-16)36(33,34)29-14-12-28(13-15-29)17-6-8-18(35-2)9-7-17/h4-11H,3,12-15H2,1-2H3,(H,25,26)(H,27,32)
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| InChIKey |
HJXIYSAOVDGJOJ-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