General Information of the Compound
| Compound ID |
CP0467134
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| Compound Name |
4-Anilino-6,7-disubstituted quinoline, 41
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| Structure |
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| Formula |
C24H20Cl2FN3O3
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| Molecular Weight |
488.346
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| Canonical SMILES |
Oc1cc(Nc2ccnc3cc(-c4ccc(CN5CCOCC5)o4)c(Cl)cc23)c(Cl)cc1F
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| InChI |
InChI=1S/C24H20Cl2FN3O3/c25-17-9-16-20(29-22-12-23(31)19(27)11-18(22)26)3-4-28-21(16)10-15(17)24-2-1-14(33-24)13-30-5-7-32-8-6-30/h1-4,9-12,31H,5-8,13H2,(H,28,29)
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| InChIKey |
ICDFHFQQEUUANP-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