General Information of the Compound
| Compound ID |
CP0394069
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| Compound Name |
6-(4-(4-(2,4-difluorobenzyl)piperazin-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 |
C25H25F2N5O4S
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| Molecular Weight |
529.569
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| Canonical SMILES |
Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(F)cc2F)CC1
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| InChI |
InChI=1S/C25H25F2N5O4S/c1-29-22-14-21(28-23(22)24(33)30(2)25(29)34)16-4-7-19(8-5-16)37(35,36)32-11-9-31(10-12-32)15-17-3-6-18(26)13-20(17)27/h3-8,13-14,28H,9-12,15H2,1-2H3
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| InChIKey |
JIWPLUAJEDDMGO-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