General Information of the Compound
| Compound ID |
CP0405061
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| Compound Name |
4-Methoxy-N-(3-pyridin-2-yl-isoquinolin-1-yl)-benzamide
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| Synonyms |
4-Methoxy-N-[2-(2-pyridinyl)quinazoline-4-yl]benzamide
4-methoxy-N-(2-pyridin-2-ylquinazolin-4-yl)benzamide
BDBM50067117
CHEMBL130499
GTPL475
VUF 8504
VUF-8504
VUF8504
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| Structure |
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| Formula |
C22H17N3O2
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| Molecular Weight |
355.397
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| Canonical SMILES |
COc1ccc(cc1)C(=O)Nc1nc(cc2ccccc12)-c1ccccn1
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| InChI |
InChI=1S/C22H17N3O2/c1-27-17-11-9-15(10-12-17)22(26)25-21-18-7-3-2-6-16(18)14-20(24-21)19-8-4-5-13-23-19/h2-14H,1H3,(H,24,25,26)
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| InChIKey |
VLGYXUZBVKQWQO-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: PT01279, Adenosine receptor A3
Cell-based Assay
Clinical Information about the Compound