General Information of the Compound
| Compound ID |
CP0921771
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| Compound Name |
dianhydro-5-O-[4-[(4-bromo-3-chlorophenyl)amino]-6-(methyloxy)quinazolin-7-yl]-L-sorbose ethylene glycol acetal
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| Structure |
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| Formula |
C23H21BrClN3O6
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| Molecular Weight |
550.793
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| Canonical SMILES |
COc1cc2c(Nc3ccc(Br)c(Cl)c3)ncnc2cc1O[C@@H]1C[C@H]2OCC3(OCCO3)[C@H]2O1
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| InChI |
InChI=1S/C23H21BrClN3O6/c1-29-17-7-13-16(26-11-27-22(13)28-12-2-3-14(24)15(25)6-12)8-18(17)33-20-9-19-21(34-20)23(10-30-19)31-4-5-32-23/h2-3,6-8,11,19-21H,4-5,9-10H2,1H3,(H,26,27,28)/t19-,20+,21+/m1/s1
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| InChIKey |
XCAOLOJNZVNRSK-HKBOAZHASA-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