General Information of the Compound
| Compound ID |
CP0433871
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| Compound Name |
6-[4-[2-(4,4-diphenylpiperidin-1-yl)-2-oxoethoxy]phenyl]-3-methyl-1-propyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
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| Structure |
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| Formula |
C35H36N4O4
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| Molecular Weight |
576.697
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| Canonical SMILES |
CCCn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCC(CC2)(c2ccccc2)c2ccccc2)cc1
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| InChI |
InChI=1S/C35H36N4O4/c1-3-20-39-30-23-29(36-32(30)33(41)37(2)34(39)42)25-14-16-28(17-15-25)43-24-31(40)38-21-18-35(19-22-38,26-10-6-4-7-11-26)27-12-8-5-9-13-27/h4-17,23,36H,3,18-22,24H2,1-2H3
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| InChIKey |
NHADJLJUOVTRKS-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: PT00862, Adenosine receptor A2a