General Information of the Compound
| Compound ID |
CP0258379
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| Compound Name |
9-Methyl-2-phenyl-5,9-dihydro-[1,2,4]triazolo[5,1-a][2,7]naphthyridine-6-carboxylic acid methyl ester
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| Synonyms |
9-Methyl-2-phenyl-5,9-dihydro-[1,2,4]triazolo[5,1-a][2,7]naphthyridine-6-carboxylic acid methyl ester
AC1N966E
BDBM50059376
CHEMBL52735
L-249313
SCHEMBL13932309
methyl 9-methyl-2-phenyl-5H-[1,2,4]triazolo[5,1-a][2,7]naphthyridine-6-carboxylate
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| Structure |
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| Formula |
C18H16N4O2
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| Molecular Weight |
320.352
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| Canonical SMILES |
COC(=O)C1=C2C=CN(C)C=C2c2nc(nn2C1)-c1ccccc1
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| InChI |
InChI=1S/C18H16N4O2/c1-21-9-8-13-14(10-21)17-19-16(12-6-4-3-5-7-12)20-22(17)11-15(13)18(23)24-2/h3-10H,11H2,1-2H3
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| InChIKey |
DBROFPXBIMMIMF-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
Clinical Information about the Compound