General Information of the Compound
| Compound ID |
CP0405394
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| Compound Name |
6-[3-methoxy-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]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 |
COc1cc(ccc1OCC(=O)N1CCN(CC1)c1ccccc1)-c1cc2n(C)c(=O)n(C)c(=O)c2[nH]1
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| InChI |
InChI=1S/C27H29N5O5/c1-29-21-16-20(28-25(21)26(34)30(2)27(29)35)18-9-10-22(23(15-18)36-3)37-17-24(33)32-13-11-31(12-14-32)19-7-5-4-6-8-19/h4-10,15-16,28H,11-14,17H2,1-3H3
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| InChIKey |
RYWZUEMEXXUQOG-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