General Information of the Compound
| Compound ID |
CP0856499
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| Compound Name |
1,1-dimethylethyl 2-(2-{[4-[(3,4-dichlorophenyl)amino]-6-(methyloxy)quinazolin-7-yl]oxy}ethyl)-5,5-dimethylmorpholine-4-carboxylate
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| Structure |
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| Formula |
C28H34Cl2N4O5
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| Molecular Weight |
577.509
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| Canonical SMILES |
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCCC1CN(C(=O)OC(C)(C)C)C(C)(C)CO1
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| InChI |
InChI=1S/C28H34Cl2N4O5/c1-27(2,3)39-26(35)34-14-18(38-15-28(34,4)5)9-10-37-24-13-22-19(12-23(24)36-6)25(32-16-31-22)33-17-7-8-20(29)21(30)11-17/h7-8,11-13,16,18H,9-10,14-15H2,1-6H3,(H,31,32,33)
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| InChIKey |
MFHPFBVKYHTFKA-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