General Information of the Compound
| Compound ID |
CP0871191
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| Compound Name |
2-But-3-enyldisulfanyl-N-[4-(3-chloro-4-fluoro-phenylamino)-quinazolin-6-yl]-acetamide
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| Formula |
C20H18ClFN4OS2
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| Molecular Weight |
448.976
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| Canonical SMILES |
C=CCCSSCC(=O)Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1
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| InChI |
InChI=1S/C20H18ClFN4OS2/c1-2-3-8-28-29-11-19(27)25-13-5-7-18-15(9-13)20(24-12-23-18)26-14-4-6-17(22)16(21)10-14/h2,4-7,9-10,12H,1,3,8,11H2,(H,25,27)(H,23,24,26)
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| InChIKey |
NTWHDNBIISUYIF-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: PT01605, Epidermal growth factor receptor