General Information of the Compound
| Compound ID |
CP0387749
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| Compound Name |
CHEMBL1800790
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| Formula |
C23H25N7O2
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| Molecular Weight |
431.5
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| Canonical SMILES |
CCC1CN2C(=N1)c1[nH]c(nc1N(CC=C)C2=O)-c1cc(OCc2ccccc2)nn1C
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| InChI |
InChI=1S/C23H25N7O2/c1-4-11-29-22-19(21-24-16(5-2)13-30(21)23(29)31)25-20(26-22)17-12-18(27-28(17)3)32-14-15-9-7-6-8-10-15/h4,6-10,12,16H,1,5,11,13-14H2,2-3H3,(H,25,26)
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| InChIKey |
ULXDNGNUXJFVHV-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: PT00840, Adenosine receptor A1
Protein ID: PT00862, Adenosine receptor A2a
Protein ID: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3