General Information of the Compound
| Compound ID |
CP0373194
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| Compound Name |
1,3-dimethyl-6-[4-[2-methyl-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 |
C28H31N5O4
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| Molecular Weight |
501.587
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| Canonical SMILES |
Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OC(C)(C)C(=O)N2CCN(CC2)c2ccccc2)cc1
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| InChI |
InChI=1S/C28H31N5O4/c1-28(2,26(35)33-16-14-32(15-17-33)20-8-6-5-7-9-20)37-21-12-10-19(11-13-21)22-18-23-24(29-22)25(34)31(4)27(36)30(23)3/h5-13,18,29H,14-17H2,1-4H3
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| InChIKey |
FENZVXYTZBQCNH-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