General Information of the Compound
| Compound ID |
CP0258427
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| Compound Name |
3-(4-fluoro-3,5-dimethoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridine-4-carbonitrile
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| Structure |
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| Formula |
C24H23FN4O2
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| Molecular Weight |
418.472
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| Canonical SMILES |
COc1cc(cc(OC)c1F)-c1cncc(-c2ccc(cc2)N2CCNCC2)c1C#N
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| InChI |
InChI=1S/C24H23FN4O2/c1-30-22-11-17(12-23(31-2)24(22)25)21-15-28-14-20(19(21)13-26)16-3-5-18(6-4-16)29-9-7-27-8-10-29/h3-6,11-12,14-15,27H,7-10H2,1-2H3
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| InChIKey |
OVAAGWFAUDJCKW-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