General Information of the Compound
| Compound ID |
CP0537771
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| Compound Name |
8-(difluoromethoxy)-4-[4-(2-fluorophenyl)piperazin-1-yl]quinoline-3-carbonitrile
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| Formula |
C21H17F3N4O
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| Molecular Weight |
398.388
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| Canonical SMILES |
FC(F)Oc1cccc2c(N3CCN(CC3)c3ccccc3F)c(cnc12)C#N
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| InChI |
InChI=1S/C21H17F3N4O/c22-16-5-1-2-6-17(16)27-8-10-28(11-9-27)20-14(12-25)13-26-19-15(20)4-3-7-18(19)29-21(23)24/h1-7,13,21H,8-11H2
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| InChIKey |
XUXBNCYNKWMDOS-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