General Information of the Compound
| Compound ID |
CP0533473
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| Compound Name |
CHEMBL4289728
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| Formula |
C22H19N5O6S
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| Molecular Weight |
481.49
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| Canonical SMILES |
N=c1oc2ccccc2cc1C(=O)N\N=C1/C(=O)Nc2ccc(cc12)S(=O)(=O)N1CCOCC1
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| InChI |
InChI=1S/C22H19N5O6S/c23-20-16(11-13-3-1-2-4-18(13)33-20)21(28)26-25-19-15-12-14(5-6-17(15)24-22(19)29)34(30,31)27-7-9-32-10-8-27/h1-6,11-12,23H,7-10H2,(H,26,28)(H,24,25,29)
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| InChIKey |
FWLJCTLMPZOFIK-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