General Information of the Compound
| Compound ID |
CP0902688
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| Compound Name |
N-(2,3-dichloro-4-methylphenyl)-7-{[(4-methylmorpholin-2-yl)methyl]oxy}-6-(methyloxy)quinazolin-4-amine
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| Structure |
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| Formula |
C22H24Cl2N4O3
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| Molecular Weight |
463.365
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| Canonical SMILES |
COc1cc2c(Nc3ccc(C)c(Cl)c3Cl)ncnc2cc1OCC1CN(C)CCO1
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| InChI |
InChI=1S/C22H24Cl2N4O3/c1-13-4-5-16(21(24)20(13)23)27-22-15-8-18(29-3)19(9-17(15)25-12-26-22)31-11-14-10-28(2)6-7-30-14/h4-5,8-9,12,14H,6-7,10-11H2,1-3H3,(H,25,26,27)
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| InChIKey |
JAGHRSZQQGMOBS-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