General Information of the Compound
| Compound ID |
CP0964029
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| Compound Name |
6-({[4-[(3,4-dichlorophenyl)amino]-6-(methyloxy)quinazolin-7-yl]oxy}methyl)-3,3,4-trimethylmorpholin-2-one
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| Structure |
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| Formula |
C23H24Cl2N4O4
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| Molecular Weight |
491.375
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| Canonical SMILES |
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1CN(C)C(C)(C)C(=O)O1
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| InChI |
InChI=1S/C23H24Cl2N4O4/c1-23(2)22(30)33-14(10-29(23)3)11-32-20-9-18-15(8-19(20)31-4)21(27-12-26-18)28-13-5-6-16(24)17(25)7-13/h5-9,12,14H,10-11H2,1-4H3,(H,26,27,28)
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| InChIKey |
NWWPZALFLBATKW-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: PT01233, Receptor tyrosine-protein kinase erbB-2
Protein ID: PT00864, Vascular endothelial growth factor receptor 2