General Information of the Compound
| Compound ID |
CP0509854
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| Compound Name |
N-(3,4-dichlorophenyl)-6-(methyloxy)-7-({[3- (4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5- yl]methyl}oxy)quinazolin-4-amine
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| Structure |
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| Formula |
C23H23Cl2N7O3
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| Molecular Weight |
516.389
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| Canonical SMILES |
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1nc(no1)N1CCN(C)CC1
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| InChI |
InChI=1S/C23H23Cl2N7O3/c1-31-5-7-32(8-6-31)23-29-21(35-30-23)12-34-20-11-18-15(10-19(20)33-2)22(27-13-26-18)28-14-3-4-16(24)17(25)9-14/h3-4,9-11,13H,5-8,12H2,1-2H3,(H,26,27,28)
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| InChIKey |
UNVZWJFKXAEDKM-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