General Information of the Compound
| Compound ID |
CP0504884
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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]-2-phenylacetamide
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| Structure |
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| Formula |
C28H23F4N3O4
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| Molecular Weight |
541.501
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| Canonical SMILES |
[O-][n+]1ccc(CC(c2ccc(NC(=O)Cc3ccccc3)nc2)c2ccc(OC(F)F)c(OC(F)F)c2)cc1
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| InChI |
InChI=1S/C28H23F4N3O4/c29-27(30)38-23-8-6-20(16-24(23)39-28(31)32)22(14-19-10-12-35(37)13-11-19)21-7-9-25(33-17-21)34-26(36)15-18-4-2-1-3-5-18/h1-13,16-17,22,27-28H,14-15H2,(H,33,34,36)
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| InChIKey |
XGGRCSXRVUXCEE-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