General Information of the Compound
| Compound ID |
CP0389576
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| Compound Name |
4-[(2-cyclohexylbenzimidazol-1-yl)methyl]-7,8-difluoro-1H-quinolin-2-one
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| Structure |
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| Formula |
C23H21F2N3O
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| Molecular Weight |
393.437
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| Canonical SMILES |
Fc1ccc2c(Cn3c(nc4ccccc34)C3CCCCC3)cc(=O)[nH]c2c1F
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| InChI |
InChI=1S/C23H21F2N3O/c24-17-11-10-16-15(12-20(29)27-22(16)21(17)25)13-28-19-9-5-4-8-18(19)26-23(28)14-6-2-1-3-7-14/h4-5,8-12,14H,1-3,6-7,13H2,(H,27,29)
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| InChIKey |
ILLSIEUSSIOHJG-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