General Information of the Compound
| Compound ID |
CP0491710
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| Compound Name |
1-Phenyl-2-(3-pyridin-2-yl-isoquinolin-1-yl)-ethanone
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| Structure |
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| Formula |
C22H16N2O
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| Molecular Weight |
324.383
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| Canonical SMILES |
O=C(Cc1nc(cc2ccccc12)-c1ccccn1)c1ccccc1
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| InChI |
InChI=1S/C22H16N2O/c25-22(16-8-2-1-3-9-16)15-20-18-11-5-4-10-17(18)14-21(24-20)19-12-6-7-13-23-19/h1-14H,15H2
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| InChIKey |
AHTFEEDQBLMEDO-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