General Information of the Compound
| Compound ID |
CP0496891
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| Compound Name |
1-{4-[(3-chlorophenyl)amino-6-quinazolinyl}-3-(2-N,N-dimethylaminoethyl)triazene
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| Structure |
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| Formula |
C18H20ClN7
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| Molecular Weight |
369.86
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| Canonical SMILES |
CN(C)CCN=NNc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1
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| InChI |
InChI=1S/C18H20ClN7/c1-26(2)9-8-22-25-24-15-6-7-17-16(11-15)18(21-12-20-17)23-14-5-3-4-13(19)10-14/h3-7,10-12H,8-9H2,1-2H3,(H,22,24)(H,20,21,23)
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| InChIKey |
GOVBHWZRXMKGIA-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