General Information of the Compound
| Compound ID |
CP0494380
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| Compound Name |
9-Isoquinolin-4-yl-1,2,6,7-tetrahydro-5H-pyrido[3,2,1-ij]quinolin-3-one
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| Structure |
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| Formula |
C21H18N2O
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| Molecular Weight |
314.388
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| Canonical SMILES |
O=C1CCc2cc(cc3CCCN1c23)-c1cncc2ccccc12
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| InChI |
InChI=1S/C21H18N2O/c24-20-8-7-15-11-17(10-14-5-3-9-23(20)21(14)15)19-13-22-12-16-4-1-2-6-18(16)19/h1-2,4,6,10-13H,3,5,7-9H2
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| InChIKey |
JQCBIGRJLIUCSI-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