General Information of the Compound
| Compound ID |
CP0433834
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| Compound Name |
1,3-bis(cyclopropylmethyl)-6-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]phenyl]-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
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| Structure |
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| Formula |
C31H32N4O4
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| Molecular Weight |
524.621
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| Canonical SMILES |
O=C(COc1ccc(cc1)-c1cc2n(CC3CC3)c(=O)n(CC3CC3)c(=O)c2[nH]1)N1CCc2ccccc2C1
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| InChI |
InChI=1S/C31H32N4O4/c36-28(33-14-13-22-3-1-2-4-24(22)18-33)19-39-25-11-9-23(10-12-25)26-15-27-29(32-26)30(37)35(17-21-7-8-21)31(38)34(27)16-20-5-6-20/h1-4,9-12,15,20-21,32H,5-8,13-14,16-19H2
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| InChIKey |
SJVLZHJJIWSOJI-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