General Information of the Compound
| Compound ID |
CP0121968
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| Compound Name |
(2,6-dimethyl-4-quinolyl)-(4-nitrophenyl)amine
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| Structure |
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| Formula |
C17H15N3O2
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| Molecular Weight |
293.326
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| Canonical SMILES |
Cc1ccc2nc(C)cc(Nc3ccc(cc3)[N+]([O-])=O)c2c1
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| InChI |
InChI=1S/C17H15N3O2/c1-11-3-8-16-15(9-11)17(10-12(2)18-16)19-13-4-6-14(7-5-13)20(21)22/h3-10H,1-2H3,(H,18,19)
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| InChIKey |
UJKFQZSNQANFHU-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: PT06109, Geminin
Protein ID: PT06124, Paired box protein Pax-8
Protein ID: PT01214, Tyrosine-protein kinase JAK2