General Information of the Compound
| Compound ID |
CP0930309
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| Compound Name |
1,4:3,6-dianhydro-5-O-[4-[(4-bromo-3-chlorophenyl)amino]-6-(methyloxy)quinazolin-7-yl]-2-deoxy-2-piperidin-1-yl-L-iditol
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| Structure |
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| Formula |
C26H28BrClN4O4
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| Molecular Weight |
575.891
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| Canonical SMILES |
COc1cc2c(Nc3ccc(Br)c(Cl)c3)ncnc2cc1O[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2N1CCCCC1
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| InChI |
InChI=1S/C26H28BrClN4O4/c1-33-21-10-16-19(29-14-30-26(16)31-15-5-6-17(27)18(28)9-15)11-22(21)36-23-13-35-24-20(12-34-25(23)24)32-7-3-2-4-8-32/h5-6,9-11,14,20,23-25H,2-4,7-8,12-13H2,1H3,(H,29,30,31)/t20-,23-,24+,25+/m0/s1
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| InChIKey |
UAUVSHOAYLPSOU-MNPDLOSFSA-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