General Information of the Compound
| Compound ID |
CP0360710
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| Compound Name |
4-[(3-chloro-4-fluorophenyl)amino]-8-acetyl-6-[(1H-imidazol-4-ylmethyl)amino]quinoline-3-carbonitrile
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| Structure |
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| Formula |
C22H16ClFN6O
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| Molecular Weight |
434.862
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| Canonical SMILES |
CC(=O)c1cc(NCc2cnc[nH]2)cc2c(Nc3ccc(F)c(Cl)c3)c(cnc12)C#N
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| InChI |
InChI=1S/C22H16ClFN6O/c1-12(31)17-4-15(27-10-16-9-26-11-29-16)5-18-21(13(7-25)8-28-22(17)18)30-14-2-3-20(24)19(23)6-14/h2-6,8-9,11,27H,10H2,1H3,(H,26,29)(H,28,30)
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| InChIKey |
FYBDFTOKGKWXLM-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