General Information of the Compound
| Compound ID |
CP0171017
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| Compound Name |
1-(3-chloro-4-fluorophenyl)-3-(4-(6,7-dimethoxyquinazolin-4-ylamino)phenyl)urea
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| Structure |
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| Formula |
C23H19ClFN5O3
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| Molecular Weight |
467.888
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| Canonical SMILES |
COc1cc2ncnc(Nc3ccc(NC(=O)Nc4ccc(F)c(Cl)c4)cc3)c2cc1OC
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| InChI |
InChI=1S/C23H19ClFN5O3/c1-32-20-10-16-19(11-21(20)33-2)26-12-27-22(16)28-13-3-5-14(6-4-13)29-23(31)30-15-7-8-18(25)17(24)9-15/h3-12H,1-2H3,(H,26,27,28)(H2,29,30,31)
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| InChIKey |
WZLMBXUNTQCPJE-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
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000007 | HT-29 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 6200 nM
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| CL000083 | MCF-7 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 7700 nM
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