General Information of the Compound
| Compound ID |
CP0856508
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| Compound Name |
N-(4-bromo-2,3-dichlorophenyl)-7-{[(3R,9aS)-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 |
C24H25BrCl2N4O3
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| Molecular Weight |
568.299
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| Canonical SMILES |
COc1cc2c(Nc3ccc(Br)c(Cl)c3Cl)ncnc2cc1OC[C@H]1CN2CCCC[C@H]2CO1
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| InChI |
InChI=1S/C24H25BrCl2N4O3/c1-32-20-8-16-19(28-13-29-24(16)30-18-6-5-17(25)22(26)23(18)27)9-21(20)34-12-15-10-31-7-3-2-4-14(31)11-33-15/h5-6,8-9,13-15H,2-4,7,10-12H2,1H3,(H,28,29,30)/t14-,15+/m0/s1
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| InChIKey |
OXOZNJXEGUXWOO-LSDHHAIUSA-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