General Information of the Compound
| Compound ID |
CP0412433
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| Compound Name |
6-[4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]phenyl]-1,3-dimethyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
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| Structure |
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| Formula |
C27H29N5O5
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| Molecular Weight |
503.559
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| Canonical SMILES |
COc1ccc(cc1)N1CCN(CC1)C(=O)COc1ccc(cc1)-c1cc2n(C)c(=O)n(C)c(=O)c2[nH]1
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| InChI |
InChI=1S/C27H29N5O5/c1-29-23-16-22(28-25(23)26(34)30(2)27(29)35)18-4-8-21(9-5-18)37-17-24(33)32-14-12-31(13-15-32)19-6-10-20(36-3)11-7-19/h4-11,16,28H,12-15,17H2,1-3H3
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| InChIKey |
BJDSGGOVWSZMIQ-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