General Information of the Compound
| Compound ID |
CP0451172
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| Compound Name |
1-{5-[1-(3,4-Bis-difluoromethoxy-phenyl)-2-(1-oxy-pyridin-4-yl)-ethyl]-pyridin-2-yl}-3-ethyl-urea
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| Structure |
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| Formula |
C23H22F4N4O4
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| Molecular Weight |
494.445
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| Canonical SMILES |
CCNC(=O)Nc1ccc(cn1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC(F)F)c1
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| InChI |
InChI=1S/C23H22F4N4O4/c1-2-28-23(32)30-20-6-4-16(13-29-20)17(11-14-7-9-31(33)10-8-14)15-3-5-18(34-21(24)25)19(12-15)35-22(26)27/h3-10,12-13,17,21-22H,2,11H2,1H3,(H2,28,29,30,32)
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| InChIKey |
GQKNIAQETLRCON-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