General Information of the Compound
| Compound ID |
CP0376574
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| Compound Name |
CHEMBL2153622
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| Formula |
C18H25N5O4
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| Molecular Weight |
375.429
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| Canonical SMILES |
CC(=O)O[C@H]1CC[C@@H](CC1)N1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21
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| InChI |
InChI=1S/C18H25N5O4/c1-11(24)27-13-7-5-12(6-8-13)22-9-4-10-23-14-15(19-17(22)23)20(2)18(26)21(3)16(14)25/h12-13H,4-10H2,1-3H3/t12-,13-
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| InChIKey |
OJYXGJFSGZSAIZ-JOCQHMNTSA-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
Protein ID: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3