General Information of the Compound
| Compound ID |
CP0409531
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| Compound Name |
6-[4-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]phenyl]-3-methyl-1-propyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
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| Structure |
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| Formula |
C28H30ClN5O4
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| Molecular Weight |
536.032
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| Canonical SMILES |
CCCn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCN(CC2)c2ccccc2Cl)cc1
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| InChI |
InChI=1S/C28H30ClN5O4/c1-3-12-34-24-17-22(30-26(24)27(36)31(2)28(34)37)19-8-10-20(11-9-19)38-18-25(35)33-15-13-32(14-16-33)23-7-5-4-6-21(23)29/h4-11,17,30H,3,12-16,18H2,1-2H3
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| InChIKey |
HRSQJYMVPNMXJV-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