General Information of the Compound
| Compound ID |
CP0502839
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| Compound Name |
7,8-difluoro-4-[[pyrazin-2-yl(pyridin-2-ylmethyl)amino]methyl]-1H-quinolin-2-one
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| Structure |
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| Formula |
C20H15F2N5O
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| Molecular Weight |
379.37
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| Canonical SMILES |
Fc1ccc2c(CN(Cc3ccccn3)c3cnccn3)cc(=O)[nH]c2c1F
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| InChI |
InChI=1S/C20H15F2N5O/c21-16-5-4-15-13(9-18(28)26-20(15)19(16)22)11-27(17-10-23-7-8-25-17)12-14-3-1-2-6-24-14/h1-10H,11-12H2,(H,26,28)
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| InChIKey |
IFSBGHCNMNCHCY-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: PT01406, Nitric oxide synthase 1
Protein ID: PT01856, Nitric oxide synthase 3
Protein ID: PT01472, Nitric oxide synthase, inducible