General Information of the Compound
| Compound ID |
CP0516384
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| Compound Name |
1,3-dimethyl-6-[4-[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]oxyphenyl]-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
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| Structure |
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| Formula |
C27H29N5O4
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| Molecular Weight |
487.56
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| Canonical SMILES |
CC(Oc1ccc(cc1)-c1cc2n(C)c(=O)n(C)c(=O)c2[nH]1)C(=O)N1CCN(CC1)c1ccccc1
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| InChI |
InChI=1S/C27H29N5O4/c1-18(25(33)32-15-13-31(14-16-32)20-7-5-4-6-8-20)36-21-11-9-19(10-12-21)22-17-23-24(28-22)26(34)30(3)27(35)29(23)2/h4-12,17-18,28H,13-16H2,1-3H3
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| InChIKey |
VXBBOGZPJCZHFS-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