General Information of the Compound
| Compound ID |
CP0517462
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| Compound Name |
2-(2-chloro-6-fluoroanilino)-1-methyl-N-[3-(trifluoromethyl)phenyl]imidazo[4,5-f]quinoline-5-carboxamide
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| Structure |
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| Formula |
C25H16ClF4N5O
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| Molecular Weight |
513.882
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| Canonical SMILES |
Cn1c(Nc2c(F)cccc2Cl)nc2cc(C(=O)Nc3cccc(c3)C(F)(F)F)c3ncccc3c12
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| InChI |
InChI=1S/C25H16ClF4N5O/c1-35-22-15-7-4-10-31-20(15)16(23(36)32-14-6-2-5-13(11-14)25(28,29)30)12-19(22)33-24(35)34-21-17(26)8-3-9-18(21)27/h2-12H,1H3,(H,32,36)(H,33,34)
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| InChIKey |
QHNDTJXPCKDOAM-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