General Information of the Compound
| Compound ID |
CP0401471
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| Compound Name |
1-(3,5-Dichloro-2-hydroxybenzyl)-1-(4-fluorobenzyl)-3-phenylurea
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| Structure |
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| Formula |
C21H17Cl2FN2O2
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| Molecular Weight |
419.283
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| Canonical SMILES |
Oc1c(Cl)cc(Cl)cc1CN(Cc1ccc(F)cc1)C(=O)Nc1ccccc1
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| InChI |
InChI=1S/C21H17Cl2FN2O2/c22-16-10-15(20(27)19(23)11-16)13-26(12-14-6-8-17(24)9-7-14)21(28)25-18-4-2-1-3-5-18/h1-11,27H,12-13H2,(H,25,28)
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| InChIKey |
HHAIRBJJFBLIDZ-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