General Information of the Compound
| Compound ID |
CP0405398
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| Compound Name |
6-[4-[2-oxo-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]phenyl]-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
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| Structure |
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| Formula |
C31H34F3N5O4
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| Molecular Weight |
597.638
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| Canonical SMILES |
CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)N2CCN(CC2)c2ccc(cc2)C(F)(F)F)cc1
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| InChI |
InChI=1S/C31H34F3N5O4/c1-3-13-38-26-19-25(35-28(26)29(41)39(14-4-2)30(38)42)21-5-11-24(12-6-21)43-20-27(40)37-17-15-36(16-18-37)23-9-7-22(8-10-23)31(32,33)34/h5-12,19,35H,3-4,13-18,20H2,1-2H3
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| InChIKey |
FOSDVAMOMCOKRT-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