General Information of the Compound
| Compound ID |
CP0487692
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| Compound Name |
N-(3,4-dichlorophenyl)-6-(methyloxy)-7-{[(2- piperidin-2-yl-1,3-thiazol-4- yl)methyl]oxy}quinazolin-4-amine
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| Structure |
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| Formula |
C24H23Cl2N5O2S
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| Molecular Weight |
516.454
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| Canonical SMILES |
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1csc(n1)C1CCCCN1
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| InChI |
InChI=1S/C24H23Cl2N5O2S/c1-32-21-9-16-20(28-13-29-23(16)30-14-5-6-17(25)18(26)8-14)10-22(21)33-11-15-12-34-24(31-15)19-4-2-3-7-27-19/h5-6,8-10,12-13,19,27H,2-4,7,11H2,1H3,(H,28,29,30)
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| InChIKey |
FZGGLLMOLZVRHY-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: PT00864, Vascular endothelial growth factor receptor 2