General Information of the Compound
| Compound ID |
CP0409549
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| Compound Name |
6-[4-[1-[4-(4-bromophenyl)piperazin-1-yl]-1-oxopropan-2-yl]oxyphenyl]-1,3-dimethyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
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| Structure |
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| Formula |
C27H28BrN5O4
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| Molecular Weight |
566.456
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| Canonical SMILES |
CC(Oc1ccc(cc1)-c1cc2n(C)c(=O)n(C)c(=O)c2[nH]1)C(=O)N1CCN(CC1)c1ccc(Br)cc1
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| InChI |
InChI=1S/C27H28BrN5O4/c1-17(25(34)33-14-12-32(13-15-33)20-8-6-19(28)7-9-20)37-21-10-4-18(5-11-21)22-16-23-24(29-22)26(35)31(3)27(36)30(23)2/h4-11,16-17,29H,12-15H2,1-3H3
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| InChIKey |
LAHZJSOACGPWCR-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