General Information of the Compound
| Compound ID |
CP0476553
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| Compound Name |
4-[(3-chloro-N-(3-methylpyridin-2-yl)anilino)methyl]-7,8-difluoro-1H-quinolin-2-one
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| Structure |
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| Formula |
C22H16ClF2N3O
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| Molecular Weight |
411.839
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| Canonical SMILES |
Cc1cccnc1N(Cc1cc(=O)[nH]c2c(F)c(F)ccc12)c1cccc(Cl)c1
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| InChI |
InChI=1S/C22H16ClF2N3O/c1-13-4-3-9-26-22(13)28(16-6-2-5-15(23)11-16)12-14-10-19(29)27-21-17(14)7-8-18(24)20(21)25/h2-11H,12H2,1H3,(H,27,29)
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| InChIKey |
GEUQNQVVZFSAOS-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: PT01856, Nitric oxide synthase 3
Protein ID: PT01472, Nitric oxide synthase, inducible