General Information of the Compound
| Compound ID |
CP0961271
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| Compound Name |
3-Allyldisulfanyl-propionic acid 3-[4-(4-bromo-phenylamino)-6-methoxy-quinazolin-7-yloxy]-propyl ester
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| Formula |
C24H26BrN3O4S2
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| Molecular Weight |
564.527
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| Canonical SMILES |
C=CCSSCCC(=O)OCCCOc1cc2ncnc(Nc3ccc(Br)cc3)c2cc1OC
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| InChI |
InChI=1S/C24H26BrN3O4S2/c1-3-12-33-34-13-9-23(29)32-11-4-10-31-22-15-20-19(14-21(22)30-2)24(27-16-26-20)28-18-7-5-17(25)6-8-18/h3,5-8,14-16H,1,4,9-13H2,2H3,(H,26,27,28)
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| InChIKey |
YSOYIKTUNKRNSC-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