General Information of the Compound
| Compound ID |
CP0513722
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| Compound Name |
6-[4-[2-[4-(4-methoxyphenyl)piperidin-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 |
C30H34N4O5
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| Molecular Weight |
530.625
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| Canonical SMILES |
CCCn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCC(CC2)c2ccc(OC)cc2)cc1
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| InChI |
InChI=1S/C30H34N4O5/c1-4-15-34-26-18-25(31-28(26)29(36)32(2)30(34)37)22-7-11-24(12-8-22)39-19-27(35)33-16-13-21(14-17-33)20-5-9-23(38-3)10-6-20/h5-12,18,21,31H,4,13-17,19H2,1-3H3
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| InChIKey |
DSWCYOLXLXYNKI-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: PT00862, Adenosine receptor A2a
Protein ID: PT01278, Adenosine receptor A2b