General Information of the Compound
| Compound ID |
CP0503111
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| Compound Name |
7,8-difluoro-4-[[2-(3-methylbutyl)benzimidazol-1-yl]methyl]-1H-quinolin-2-one
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| Structure |
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| Formula |
C22H21F2N3O
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| Molecular Weight |
381.426
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| Canonical SMILES |
CC(C)CCc1nc2ccccc2n1Cc1cc(=O)[nH]c2c(F)c(F)ccc12
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| InChI |
InChI=1S/C22H21F2N3O/c1-13(2)7-10-19-25-17-5-3-4-6-18(17)27(19)12-14-11-20(28)26-22-15(14)8-9-16(23)21(22)24/h3-6,8-9,11,13H,7,10,12H2,1-2H3,(H,26,28)
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| InChIKey |
ASFKHVUIYNQULZ-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