General Information of the Compound
| Compound ID |
CP0879057
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| Compound Name |
N-[2-(3-Fluoro-phenyl)-ethyl]-3-thianthren-1-yl-5-trifluoromethyl-benzenesulfonamide
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| Structure |
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| Formula |
C27H19F4NO2S3
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| Molecular Weight |
561.647
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| Canonical SMILES |
O=S(=O)(NCCc1cccc(F)c1)c1cc(-c2cccc3c2Sc2ccccc2S3)cc(C(F)(F)F)c1
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| InChI |
InChI=1S/C27H19F4NO2S3/c28-20-6-3-5-17(13-20)11-12-32-37(33,34)21-15-18(14-19(16-21)27(29,30)31)22-7-4-10-25-26(22)36-24-9-2-1-8-23(24)35-25/h1-10,13-16,32H,11-12H2
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| InChIKey |
XQHYZFKPEXFISZ-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