General Information of the Compound
| Compound ID |
CP0489637
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| Compound Name |
1-(4-Fluorobenzyl)-1-(2-hydroxy-3,5-dimethylbenzyl)-3-phenylthiourea
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| Structure |
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| Formula |
C23H23FN2OS
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| Molecular Weight |
394.515
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| Canonical SMILES |
Cc1cc(C)c(O)c(CN(Cc2ccc(F)cc2)C(=S)Nc2ccccc2)c1
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| InChI |
InChI=1S/C23H23FN2OS/c1-16-12-17(2)22(27)19(13-16)15-26(14-18-8-10-20(24)11-9-18)23(28)25-21-6-4-3-5-7-21/h3-13,27H,14-15H2,1-2H3,(H,25,28)
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| InChIKey |
TZBDHYWZRVNCMC-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: PT00922, Epidermal growth factor receptor
Protein ID: PT01233, Receptor tyrosine-protein kinase erbB-2