General Information of the Compound
| Compound ID |
CP0489636
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| Compound Name |
1-(5-Chloro-2-hydroxybenzyl)-1-(4-fluorobenzyl)-3-phenylthiourea
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| Structure |
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| Formula |
C21H18ClFN2OS
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| Molecular Weight |
400.906
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| Canonical SMILES |
Oc1c(Cl)cccc1CN(Cc1ccc(F)cc1)C(=S)Nc1ccccc1
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| InChI |
InChI=1S/C21H18ClFN2OS/c22-19-8-4-5-16(20(19)26)14-25(13-15-9-11-17(23)12-10-15)21(27)24-18-6-2-1-3-7-18/h1-12,26H,13-14H2,(H,24,27)
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| InChIKey |
UERCBPIXITWGQE-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