General Information of the Compound
| Compound ID |
CP0395051
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| Compound Name |
N-[5-[1-[3,4-bis(difluoromethoxy)phenyl]-2-(1-oxidopyridin-1-ium-4-yl)ethyl]pyridin-2-yl]acetamide
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| Structure |
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| Formula |
C22H19F4N3O4
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| Molecular Weight |
465.403
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| Canonical SMILES |
CC(=O)Nc1ccc(cn1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC(F)F)c1
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| InChI |
InChI=1S/C22H19F4N3O4/c1-13(30)28-20-5-3-16(12-27-20)17(10-14-6-8-29(31)9-7-14)15-2-4-18(32-21(23)24)19(11-15)33-22(25)26/h2-9,11-12,17,21-22H,10H2,1H3,(H,27,28,30)
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| InChIKey |
SEQPSYZYWRUUHP-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