General Information of the Compound
| Compound ID |
CP0923943
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| Compound Name |
N-(3,4-dichlorophenyl)-7-[({4-[(3,5-dimethylisoxazol-4-yl)carbonyl]morpholin-2-yl}methyl)oxy]-6-(methyloxy)quinazolin-4-amine
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| Structure |
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| Formula |
C26H25Cl2N5O5
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| Molecular Weight |
558.422
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| Canonical SMILES |
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1CN(C(=O)c2c(C)noc2C)CCO1
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| InChI |
InChI=1S/C26H25Cl2N5O5/c1-14-24(15(2)38-32-14)26(34)33-6-7-36-17(11-33)12-37-23-10-21-18(9-22(23)35-3)25(30-13-29-21)31-16-4-5-19(27)20(28)8-16/h4-5,8-10,13,17H,6-7,11-12H2,1-3H3,(H,29,30,31)
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| InChIKey |
DGJOZXUZTUDBOH-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