General Information of the Compound
| Compound ID |
CP0365458
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| Compound Name |
6,7-difluoro-4-[4-(2-fluorophenyl)piperazin-1-yl]-8-methoxyquinoline-3-carbonitrile
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| Formula |
C21H17F3N4O
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| Molecular Weight |
398.388
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| Canonical SMILES |
COc1c(F)c(F)cc2c(N3CCN(CC3)c3ccccc3F)c(cnc12)C#N
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| InChI |
InChI=1S/C21H17F3N4O/c1-29-21-18(24)16(23)10-14-19(21)26-12-13(11-25)20(14)28-8-6-27(7-9-28)17-5-3-2-4-15(17)22/h2-5,10,12H,6-9H2,1H3
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| InChIKey |
ROCSAJYXCABZPT-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