General Information of the Compound
| Compound ID |
CP0529534
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| Compound Name |
N-(3,4-dichlorophenyl)-6-(methyloxy)-7- {[(8aR)-tetrahydro-1H-[1,3]thiazolo[4,3- c][1,4]oxazin-6-ylmethyl]oxy}quinazolin-4- amine
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| Structure |
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| Formula |
C22H22Cl2N4O3S
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| Molecular Weight |
493.416
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| Canonical SMILES |
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1CN2CSC[C@H]2CO1
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| InChI |
InChI=1S/C22H22Cl2N4O3S/c1-29-20-5-16-19(25-11-26-22(16)27-13-2-3-17(23)18(24)4-13)6-21(20)31-9-15-7-28-12-32-10-14(28)8-30-15/h2-6,11,14-15H,7-10,12H2,1H3,(H,25,26,27)/t14-,15?/m1/s1
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| InChIKey |
RFGYFZFUMBQSCW-GICMACPYSA-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: PT01142, Vascular endothelial growth factor receptor 1
Protein ID: PT00864, Vascular endothelial growth factor receptor 2