General Information of the Compound
| Compound ID |
CP0482758
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| Compound Name |
Benzyl-{5-[1-(3,4-bis-difluoromethoxy-phenyl)-2-(1-oxy-pyridin-4-yl)-ethyl]-pyridin-2-yl}-ethyl-amine
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| Structure |
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| Formula |
C29H27F4N3O3
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| Molecular Weight |
541.545
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| Canonical SMILES |
CCN(Cc1ccccc1)c1ccc(cn1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC(F)F)c1
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| InChI |
InChI=1S/C29H27F4N3O3/c1-2-35(19-21-6-4-3-5-7-21)27-11-9-23(18-34-27)24(16-20-12-14-36(37)15-13-20)22-8-10-25(38-28(30)31)26(17-22)39-29(32)33/h3-15,17-18,24,28-29H,2,16,19H2,1H3
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| InChIKey |
FDPICUUOOJCCPW-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