General Information of the Compound
| Compound ID |
CP0359193
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| Compound Name |
4-(4-Chloro-2-fluorophenylamino)-6,7-dimethoxyquinoline-3-carbonitrile
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| Structure |
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| Formula |
C18H13ClFN3O2
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| Molecular Weight |
357.772
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| Canonical SMILES |
COc1cc2ncc(C#N)c(Nc3ccc(Cl)cc3F)c2cc1OC
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| InChI |
InChI=1S/C18H13ClFN3O2/c1-24-16-6-12-15(7-17(16)25-2)22-9-10(8-21)18(12)23-14-4-3-11(19)5-13(14)20/h3-7,9H,1-2H3,(H,22,23)
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| InChIKey |
AZGVCABJHURYHG-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