General Information of the Compound
| Compound ID |
CP0871192
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| Compound Name |
N-[4-(3-Chloro-4-fluoro-phenylamino)-quinazolin-6-yl]-2-[4-(3-oxo-3H-[1,2]dithiol-4-yl)-phenoxy]-acetamide
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| Formula |
C25H16ClFN4O3S2
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| Molecular Weight |
539.013
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| Canonical SMILES |
O=C(COc1ccc(-c2cssc2=O)cc1)Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1
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| InChI |
InChI=1S/C25H16ClFN4O3S2/c26-20-10-16(3-7-21(20)27)31-24-18-9-15(4-8-22(18)28-13-29-24)30-23(32)11-34-17-5-1-14(2-6-17)19-12-35-36-25(19)33/h1-10,12-13H,11H2,(H,30,32)(H,28,29,31)
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| InChIKey |
KIGCXHDVUKZSOW-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-based Assay
Protein ID: PT01605, Epidermal growth factor receptor