General Information of the Compound
| Compound ID |
CP0455362
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| Compound Name |
7,8-difluoro-4-[[2-(2-methylpropyl)benzimidazol-1-yl]methyl]-1H-quinolin-2-one
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| Structure |
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| Formula |
C21H19F2N3O
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| Molecular Weight |
367.399
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| Canonical SMILES |
CC(C)Cc1nc2ccccc2n1Cc1cc(=O)[nH]c2c(F)c(F)ccc12
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| InChI |
InChI=1S/C21H19F2N3O/c1-12(2)9-18-24-16-5-3-4-6-17(16)26(18)11-13-10-19(27)25-21-14(13)7-8-15(22)20(21)23/h3-8,10,12H,9,11H2,1-2H3,(H,25,27)
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| InChIKey |
KPIBTYOXTSLBPM-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