General Information of the Compound
| Compound ID |
CP0851720
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| Compound Name |
4'-[4-(2-Methoxy-ethyl)-phenoxymethyl]-5-trifluoromethyl-biphenyl-3-sulfonic acid [2-(3-fluoro-phenyl)-ethyl]-amide
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| Structure |
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| Formula |
C31H29F4NO4S
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| Molecular Weight |
587.635
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| Canonical SMILES |
COCCc1ccc(OCc2ccc(-c3cc(C(F)(F)F)cc(S(=O)(=O)NCCc4cccc(F)c4)c3)cc2)cc1
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| InChI |
InChI=1S/C31H29F4NO4S/c1-39-16-14-22-7-11-29(12-8-22)40-21-24-5-9-25(10-6-24)26-18-27(31(33,34)35)20-30(19-26)41(37,38)36-15-13-23-3-2-4-28(32)17-23/h2-12,17-20,36H,13-16,21H2,1H3
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| InChIKey |
LLDGVOCVEKIDDF-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