General Information of the Compound
| Compound ID |
CP0879040
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| Compound Name |
5-Trifluoromethyl-2'-(3-trifluoromethyl-phenoxymethyl)-biphenyl-3-sulfonic acid [2-(3-fluoro-phenyl)-ethyl]-amide
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| Structure |
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| Formula |
C29H22F7NO3S
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| Molecular Weight |
597.552
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| Canonical SMILES |
O=S(=O)(NCCc1cccc(F)c1)c1cc(-c2ccccc2COc2cccc(C(F)(F)F)c2)cc(C(F)(F)F)c1
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| InChI |
InChI=1S/C29H22F7NO3S/c30-24-8-3-5-19(13-24)11-12-37-41(38,39)26-15-21(14-23(17-26)29(34,35)36)27-10-2-1-6-20(27)18-40-25-9-4-7-22(16-25)28(31,32)33/h1-10,13-17,37H,11-12,18H2
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| InChIKey |
CWQLLFSYJQEAJG-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
Protein ID: PT01233, Receptor tyrosine-protein kinase erbB-2
Protein ID: PT01159, Receptor tyrosine-protein kinase erbB-4