General Information of the Compound
| Compound ID |
CP0676149
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| Compound Name |
N-(3-Chlorophenyl)-N-((7,8-difluoro-2-oxo-1,2-dihydroquinolin-4-yl)methyl)-4-methylnicotinamide
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| Structure |
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| Formula |
C23H20ClF2N3O2
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| Molecular Weight |
443.881
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| Canonical SMILES |
CC1=C(C(=O)N(Cc2cc(=O)[nH]c3c(F)c(F)ccc23)c2cccc(Cl)c2)CNCC1
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| InChI |
InChI=1S/C23H20ClF2N3O2/c1-13-7-8-27-11-18(13)23(31)29(16-4-2-3-15(24)10-16)12-14-9-20(30)28-22-17(14)5-6-19(25)21(22)26/h2-6,9-10,27H,7-8,11-12H2,1H3,(H,28,30)
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| InChIKey |
KWVRZYCMJDHZQT-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
Protein ID: PT01718, Nitric oxide synthase, inducible