General Information of the Compound
| Compound ID |
CP0896756
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| Compound Name |
4-methyl-3-(7-(pyridin-4-yl)-2-(trifluoromethyl)quinolin-4-ylamino)phenol
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| Structure |
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| Formula |
C22H16F3N3O
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| Molecular Weight |
395.384
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| Canonical SMILES |
Cc1ccc(O)cc1Nc1cc(C(F)(F)F)nc2cc(-c3ccncc3)ccc12
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| InChI |
InChI=1S/C22H16F3N3O/c1-13-2-4-16(29)11-18(13)27-20-12-21(22(23,24)25)28-19-10-15(3-5-17(19)20)14-6-8-26-9-7-14/h2-12,29H,1H3,(H,27,28)
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| InChIKey |
VCBWSBXTKWOQGB-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