General Information of the Compound
| Compound ID |
CP0871193
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| Compound Name |
4-(4-{3-[4-(3-Bromo-phenylamino)-6-methoxy-quinazolin-7-yloxy]-propoxy}-phenyl)-[1,2]dithiole-3-thione
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| Formula |
C27H22BrN3O3S3
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| Molecular Weight |
612.596
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| Canonical SMILES |
COc1cc2c(Nc3cccc(Br)c3)ncnc2cc1OCCCOc1ccc(-c2cssc2=S)cc1
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| InChI |
InChI=1S/C27H22BrN3O3S3/c1-32-24-13-21-23(29-16-30-26(21)31-19-5-2-4-18(28)12-19)14-25(24)34-11-3-10-33-20-8-6-17(7-9-20)22-15-36-37-27(22)35/h2,4-9,12-16H,3,10-11H2,1H3,(H,29,30,31)
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| InChIKey |
QPKAHPNGMKTOQD-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