General Information of the Compound
| Compound ID |
CP0449390
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| Compound Name |
1-Phenyl-3-(3-pyridin-2-yl-isoquinolin-1-yl)-urea
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| Synonyms |
1-Phenyl-3-[3-(2-pyridyl)-1-isoquinolyl]urea
1-phenyl-3-(3-(pyridin-2-yl)isoquinolin-1-yl)urea
BDBM50088465
CHEMBL70553
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| Structure |
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| Formula |
C21H16N4O
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| Molecular Weight |
340.386
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| Canonical SMILES |
O=C(Nc1ccccc1)Nc1nc(cc2ccccc12)-c1ccccn1
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| InChI |
InChI=1S/C21H16N4O/c26-21(23-16-9-2-1-3-10-16)25-20-17-11-5-4-8-15(17)14-19(24-20)18-12-6-7-13-22-18/h1-14H,(H2,23,24,25,26)
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| InChIKey |
IJXVHHOSRPNGFG-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
Clinical Information about the Compound