General Information of the Compound
| Compound ID |
CP0923157
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| Compound Name |
N'-cyano-2-({[4-[(3,4-dichlorophenyl)amino]-6-(methyloxy)quinazolin-7-yl]oxy}methyl)-1,4-oxazepane-4-carboximidamide
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| Structure |
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| Formula |
C23H23ClFN7O3
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| Molecular Weight |
499.934
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| Canonical SMILES |
COc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OCC1CN(/C(N)=N/C#N)CCCO1
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| InChI |
InChI=1S/C23H23ClFN7O3/c1-33-19-8-15-18(29-13-30-22(15)31-17-5-2-4-16(24)21(17)25)9-20(19)35-11-14-10-32(6-3-7-34-14)23(27)28-12-26/h2,4-5,8-9,13-14H,3,6-7,10-11H2,1H3,(H2,27,28)(H,29,30,31)
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| InChIKey |
WEUDFLZPDBNRRQ-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