General Information of the Compound
| Compound ID |
CP0453191
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| Compound Name |
[4-[1-[3,4-bis(difluoromethoxy)phenyl]-2-(1-oxidopyridin-1-ium-4-yl)ethyl]phenyl]methyl N-ethylcarbamate
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| Structure |
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| Formula |
C25H24F4N2O5
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| Molecular Weight |
508.468
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| Canonical SMILES |
CCNC(=O)OCc1ccc(cc1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC(F)F)c1
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| InChI |
InChI=1S/C25H24F4N2O5/c1-2-30-25(32)34-15-17-3-5-18(6-4-17)20(13-16-9-11-31(33)12-10-16)19-7-8-21(35-23(26)27)22(14-19)36-24(28)29/h3-12,14,20,23-24H,2,13,15H2,1H3,(H,30,32)
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| InChIKey |
MTYRVCFVHPJKJN-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