General Information of the Compound
| Compound ID |
CP0947311
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| Compound Name |
N-(3,4-dichlorophenyl)-6-(methyloxy)-7-{[(5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]oxy}quinazolin-4-amine
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| Structure |
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| Formula |
C23H21Cl2N5O2S
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| Molecular Weight |
502.427
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| Canonical SMILES |
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1nc2c(s1)CN(C)CC2
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| InChI |
InChI=1S/C23H21Cl2N5O2S/c1-30-6-5-17-21(10-30)33-22(29-17)11-32-20-9-18-14(8-19(20)31-2)23(27-12-26-18)28-13-3-4-15(24)16(25)7-13/h3-4,7-9,12H,5-6,10-11H2,1-2H3,(H,26,27,28)
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| InChIKey |
ASUKBBADPXBJFR-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