General Information of the Compound
| Compound ID |
CP0441852
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| Compound Name |
CHEMBL274199
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| Formula |
C25H33N5O4
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| Molecular Weight |
467.57
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| Canonical SMILES |
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@H]1CC[C@@H](CC1)NC(=O)OCc1ccccc1
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| InChI |
InChI=1S/C25H33N5O4/c1-3-14-29-22-20(23(31)30(15-4-2)25(29)33)27-21(28-22)18-10-12-19(13-11-18)26-24(32)34-16-17-8-6-5-7-9-17/h5-9,18-19H,3-4,10-16H2,1-2H3,(H,26,32)(H,27,28)/t18-,19-
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| InChIKey |
GNKVWLPYAHCCPN-WGSAOQKQSA-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: PT00840, Adenosine receptor A1
Protein ID: PT00862, Adenosine receptor A2a