General Information of the Compound
| Compound ID |
CP0897775
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| Compound Name |
N-(4-bromo-3-chlorophenyl)-6-(methyloxy)-7-{[(3S,4R)-4-(methyloxy)tetrahydroiuran-3-yl]oxy}quinazolin-4-amine
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| Structure |
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| Formula |
C20H25N3O7
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| Molecular Weight |
419.434
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| Canonical SMILES |
COc1cc2c(N[C@H]3COC[C@@H]3OC)ncnc2cc1O[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2O
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| InChI |
InChI=1S/C20H25N3O7/c1-25-14-3-10-11(21-9-22-20(10)23-12-5-27-7-16(12)26-2)4-15(14)30-17-8-29-18-13(24)6-28-19(17)18/h3-4,9,12-13,16-19,24H,5-8H2,1-2H3,(H,21,22,23)/t12-,13-,16-,17-,18+,19+/m0/s1
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| InChIKey |
XRRHFQQSBXKXCI-FXELPECLSA-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