General Information of the Compound
| Compound ID |
CP0383621
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| Compound Name |
4-[1-(3,4-Bis-difluoromethoxy-phenyl)-2-(1-oxy-pyridin-4-yl)-ethyl]-N,N-dimethyl-benzamide
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| Structure |
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| Formula |
C24H22F4N2O4
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| Molecular Weight |
478.442
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| Canonical SMILES |
CN(C)C(=O)c1ccc(cc1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC(F)F)c1
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| InChI |
InChI=1S/C24H22F4N2O4/c1-29(2)22(31)17-5-3-16(4-6-17)19(13-15-9-11-30(32)12-10-15)18-7-8-20(33-23(25)26)21(14-18)34-24(27)28/h3-12,14,19,23-24H,13H2,1-2H3
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| InChIKey |
MKNJXDNFBZJSIE-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