General Information of the Compound
| Compound ID |
CP0912090
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| Compound Name |
N-(3,4-dichlorophenyl)-7-{[(5-ethyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]oxy}-6-(methyloxy)quinazolin-4-amine
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| Structure |
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| Formula |
C24H25Cl2N5O2S
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| Molecular Weight |
518.47
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| Canonical SMILES |
CCN1CCC2N=C(COc3cc4ncnc(Nc5ccc(Cl)c(Cl)c5)c4cc3OC)SC2C1
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| InChI |
InChI=1S/C24H25Cl2N5O2S/c1-3-31-7-6-18-22(11-31)34-23(30-18)12-33-21-10-19-15(9-20(21)32-2)24(28-13-27-19)29-14-4-5-16(25)17(26)8-14/h4-5,8-10,13,18,22H,3,6-7,11-12H2,1-2H3,(H,27,28,29)
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| InChIKey |
JJHKGTMOROVPCK-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