General Information of the Compound
| Compound ID |
CP0458249
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| Compound Name |
N-(3,4-dichlorophenyl)-7-[(hexahydro-1H- [1,4]oxazino[3,4-c][1,4]oxazin-3- ylmethyl)oxy]-6-(methyloxy)quinazolin-4- amine
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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)ncnc2cc1OCC1CN2CCOCC2CO1
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| InChI |
InChI=1S/C23H24Cl2N4O4/c1-30-21-7-17-20(26-13-27-23(17)28-14-2-3-18(24)19(25)6-14)8-22(21)33-12-16-9-29-4-5-31-10-15(29)11-32-16/h2-3,6-8,13,15-16H,4-5,9-12H2,1H3,(H,26,27,28)
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| InChIKey |
ZJFHLSCSEWIASA-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: PT01142, Vascular endothelial growth factor receptor 1
Protein ID: PT00864, Vascular endothelial growth factor receptor 2