General Information of the Compound
| Compound ID |
CP0914245
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| Compound Name |
3-(2,2'-bithiophen-5-yl)-N-(3-fluorophenethyl)-5-(trifluoromethyl)benzenesulfonamide
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| Structure |
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| Formula |
C23H17F4NO2S3
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| Molecular Weight |
511.587
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| Canonical SMILES |
O=S(=O)(NCCc1cccc(F)c1)c1cc(-c2ccc(-c3cccs3)s2)cc(C(F)(F)F)c1
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| InChI |
InChI=1S/C23H17F4NO2S3/c24-18-4-1-3-15(11-18)8-9-28-33(29,30)19-13-16(12-17(14-19)23(25,26)27)20-6-7-22(32-20)21-5-2-10-31-21/h1-7,10-14,28H,8-9H2
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| InChIKey |
RBKQHDPHYQYDQR-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