General Information of the Compound
| Compound ID |
CP0537772
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| Compound Name |
8-(difluoromethoxy)-6-fluoro-4-[4-(2-fluorophenyl)piperazin-1-yl]quinoline-3-carbonitrile
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| Formula |
C21H16F4N4O
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| Molecular Weight |
416.378
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| Canonical SMILES |
FC(F)Oc1cc(F)cc2c(N3CCN(CC3)c3ccccc3F)c(cnc12)C#N
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| InChI |
InChI=1S/C21H16F4N4O/c22-14-9-15-19(18(10-14)30-21(24)25)27-12-13(11-26)20(15)29-7-5-28(6-8-29)17-4-2-1-3-16(17)23/h1-4,9-10,12,21H,5-8H2
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| InChIKey |
MQUZIXVGJCRKES-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