General Information of the Compound
| Compound ID |
CP0372952
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| Compound Name |
6-Isoquinolin-4-yl-3,4-dihydroquinolin-2(1H)-one
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| Synonyms |
6-Isoquinolin-4-yl-3,4-dihydroquinolin-2(1H)-one
BDBM50273813
CHEMBL456390
SCHEMBL1120250
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| Structure |
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| Formula |
C18H14N2O
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| Molecular Weight |
274.323
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| Canonical SMILES |
O=C1CCc2cc(ccc2N1)-c1cncc2ccccc12
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| InChI |
InChI=1S/C18H14N2O/c21-18-8-6-13-9-12(5-7-17(13)20-18)16-11-19-10-14-3-1-2-4-15(14)16/h1-5,7,9-11H,6,8H2,(H,20,21)
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| InChIKey |
TVVPAZUMRVMIFM-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: PT03119, Cytochrome P450 11B1, mitochondrial
Protein ID: PT03120, Cytochrome P450 11B2, mitochondrial
Clinical Information about the Compound