General Information of the Compound
| Compound ID |
CP0529118
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| Compound Name |
6-(4-(4-benzylpiperazin-1-ylsulfonyl)phenyl)-1,3-dimethyl-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione
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| Structure |
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| Formula |
C25H27N5O4S
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| Molecular Weight |
493.589
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| Canonical SMILES |
Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C25H27N5O4S/c1-27-22-16-21(26-23(22)24(31)28(2)25(27)32)19-8-10-20(11-9-19)35(33,34)30-14-12-29(13-15-30)17-18-6-4-3-5-7-18/h3-11,16,26H,12-15,17H2,1-2H3
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| InChIKey |
BZIYNOFERKYDGM-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: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3