General Information of the Compound
| Compound ID |
CP0381854
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| Compound Name |
6-(4-(4-((5-chlorothiophen-2-yl)methyl)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 |
C23H24ClN5O4S2
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| Molecular Weight |
534.063
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| Canonical SMILES |
Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(Cl)s2)CC1
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| InChI |
InChI=1S/C23H24ClN5O4S2/c1-26-19-13-18(25-21(19)22(30)27(2)23(26)31)15-3-6-17(7-4-15)35(32,33)29-11-9-28(10-12-29)14-16-5-8-20(24)34-16/h3-8,13,25H,9-12,14H2,1-2H3
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| InChIKey |
IPPJNUFPGUBGGY-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