General Information of the Compound
| Compound ID |
CP0486623
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| Compound Name |
8-(4,4-difluoropiperidin-1-yl)-4-[4-(2-fluorophenyl)piperazin-1-yl]quinoline-3-carbonitrile
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| Formula |
C25H24F3N5
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| Molecular Weight |
451.496
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| Canonical SMILES |
Fc1ccccc1N1CCN(CC1)c1c(cnc2c(cccc12)N1CCC(F)(F)CC1)C#N
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| InChI |
InChI=1S/C25H24F3N5/c26-20-5-1-2-6-21(20)32-12-14-33(15-13-32)24-18(16-29)17-30-23-19(24)4-3-7-22(23)31-10-8-25(27,28)9-11-31/h1-7,17H,8-15H2
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| InChIKey |
WCKBDTFOHXJHLZ-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