General Information of the Compound
| Compound ID |
CP0516276
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| Compound Name |
N-[(5-methoxypyridin-2-yl)methyl]-4-(1-methyl-2,4-dioxo-3-propyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)benzenesulfonamide
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| Structure |
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| Formula |
C23H25N5O5S
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| Molecular Weight |
483.55
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| Canonical SMILES |
CCCn1c(=O)n(C)c2cc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)NCc1ccc(OC)cn1
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| InChI |
InChI=1S/C23H25N5O5S/c1-4-11-28-22(29)21-20(27(2)23(28)30)12-19(26-21)15-5-9-18(10-6-15)34(31,32)25-13-16-7-8-17(33-3)14-24-16/h5-10,12,14,25-26H,4,11,13H2,1-3H3
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| InChIKey |
QQQVIQPNCAWTAO-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