General Information of the Compound
| Compound ID |
CP0471157
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| Compound Name |
CHEMBL4281426
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| Formula |
C18H18N4O4S
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| Molecular Weight |
386.433
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| Canonical SMILES |
O=C1Nc2ccc(cc2\C1=N\Nc1ccccc1)S(=O)(=O)N1CCOCC1
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| InChI |
InChI=1S/C18H18N4O4S/c23-18-17(21-20-13-4-2-1-3-5-13)15-12-14(6-7-16(15)19-18)27(24,25)22-8-10-26-11-9-22/h1-7,12,20H,8-11H2,(H,19,21,23)
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| InChIKey |
CNMDKUOXWWKXNX-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