General Information of the Compound
| Compound ID |
CP0405376
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| Compound Name |
6-[4-[2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-oxoethoxy]phenyl]-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
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| Structure |
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| Formula |
C31H36N4O5
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| Molecular Weight |
544.652
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| Canonical SMILES |
CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)N2CCC(O)(CC2)c2ccccc2)cc1
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| InChI |
InChI=1S/C31H36N4O5/c1-3-16-34-26-20-25(32-28(26)29(37)35(17-4-2)30(34)38)22-10-12-24(13-11-22)40-21-27(36)33-18-14-31(39,15-19-33)23-8-6-5-7-9-23/h5-13,20,32,39H,3-4,14-19,21H2,1-2H3
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| InChIKey |
VCHSWNYVNZOQFN-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