General Information of the Compound
| Compound ID |
CP0858282
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| Compound Name |
N-(3-Chlorophenyl)-N-((8-fluoro-2-oxo-1,2-dihydroquinolin-4-yl)methyl)-1-methyl-1H-imidazole-5-carboxamide
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| Structure |
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| Formula |
C20H14ClFN4O2
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| Molecular Weight |
396.809
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| Canonical SMILES |
O=C(c1c[nH]cn1)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(Cl)c1
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| InChI |
InChI=1S/C20H14ClFN4O2/c21-13-3-1-4-14(8-13)26(20(28)17-9-23-11-24-17)10-12-7-18(27)25-19-15(12)5-2-6-16(19)22/h1-9,11H,10H2,(H,23,24)(H,25,27)
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| InChIKey |
ZZWNYUOBODAYCH-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