General Information of the Compound
| Compound ID |
CP0422126
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| Compound Name |
quinolinone, 18
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| Structure |
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| Formula |
C20H13ClFN3O2S
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| Molecular Weight |
413.861
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| Canonical SMILES |
Fc1cccc2c(CN(C(=O)c3cncs3)c3cccc(Cl)c3)cc(=O)[nH]c12
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| InChI |
InChI=1S/C20H13ClFN3O2S/c21-13-3-1-4-14(8-13)25(20(27)17-9-23-11-28-17)10-12-7-18(26)24-19-15(12)5-2-6-16(19)22/h1-9,11H,10H2,(H,24,26)
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| InChIKey |
JURPYRJUHDRRPA-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: PT01856, Nitric oxide synthase 3
Protein ID: PT01472, Nitric oxide synthase, inducible