General Information of the Compound
| Compound ID |
CP0924123
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| Compound Name |
[(1E)-[2-({[4-[(3,4-dichlorophenyl)amino]-6-(methyloxy)quinazolin-7-yl]oxy}methyl)morpholin-4-yl](pyrrolidin-1-yl)methylidene]cyanamide
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| Formula |
C26H27Cl2N7O3
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| Molecular Weight |
556.454
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| Canonical SMILES |
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1CN(/C(=N/C#N)N2CCCC2)CCO1
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| InChI |
InChI=1S/C26H27Cl2N7O3/c1-36-23-11-19-22(31-16-32-25(19)33-17-4-5-20(27)21(28)10-17)12-24(23)38-14-18-13-35(8-9-37-18)26(30-15-29)34-6-2-3-7-34/h4-5,10-12,16,18H,2-3,6-9,13-14H2,1H3,(H,31,32,33)/b30-26+
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| InChIKey |
PGISXUXCINKXKL-URGPHPNLSA-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: PT01233, Receptor tyrosine-protein kinase erbB-2
Protein ID: PT00864, Vascular endothelial growth factor receptor 2