General Information of the Compound
| Compound ID |
CP0539763
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| Compound Name |
4-[2-[3,4-di(difluoromethoxy)phenyl]-2-(6-tetrahydro-1H-1-pyrrolyl-3-pyridyl)ethyl]-1-pyridiniumolate
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| Structure |
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| Formula |
C24H23F4N3O3
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| Molecular Weight |
477.458
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| Canonical SMILES |
[O-][n+]1ccc(CC(c2ccc(nc2)N2CCCC2)c2ccc(OC(F)F)c(OC(F)F)c2)cc1
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| InChI |
InChI=1S/C24H23F4N3O3/c25-23(26)33-20-5-3-17(14-21(20)34-24(27)28)19(13-16-7-11-31(32)12-8-16)18-4-6-22(29-15-18)30-9-1-2-10-30/h3-8,11-12,14-15,19,23-24H,1-2,9-10,13H2
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| InChIKey |
WKELFFXNLPITJQ-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