General Information of the Compound
| Compound ID |
CP0392783
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| Compound Name |
7,8-difluoro-4-[[(2-methylphenyl)methyl-pyrazin-2-ylamino]methyl]-1H-quinolin-2-one
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| Structure |
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| Formula |
C22H18F2N4O
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| Molecular Weight |
392.409
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| Canonical SMILES |
Cc1ccccc1CN(Cc1cc(=O)[nH]c2c(F)c(F)ccc12)c1cnccn1
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| InChI |
InChI=1S/C22H18F2N4O/c1-14-4-2-3-5-15(14)12-28(19-11-25-8-9-26-19)13-16-10-20(29)27-22-17(16)6-7-18(23)21(22)24/h2-11H,12-13H2,1H3,(H,27,29)
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| InChIKey |
VTEVEQHENPPCQK-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