General Information of the Compound
| Compound ID |
CP0902687
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| Compound Name |
N'-cyano-2-({[4-[(3,4-dichlorophenyl)amino]-6-(methyloxy)quinazolin-7-yl]oxy}methyl)-N-ethylmorpholine-4-carboximidamide
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| Structure |
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| Formula |
C24H25Cl2N7O3
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| Molecular Weight |
530.416
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| Canonical SMILES |
CCN/C(=N\C#N)N1CCOC(COc2cc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3cc2OC)C1
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| InChI |
InChI=1S/C24H25Cl2N7O3/c1-3-28-24(29-13-27)33-6-7-35-16(11-33)12-36-22-10-20-17(9-21(22)34-2)23(31-14-30-20)32-15-4-5-18(25)19(26)8-15/h4-5,8-10,14,16H,3,6-7,11-12H2,1-2H3,(H,28,29)(H,30,31,32)
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| InChIKey |
DSXVRWQRFDVWBE-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