General Information of the Compound
| Compound ID |
CP0920903
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| Compound Name |
7-[({4-[(3-chloropropyl)sulfonyl]morpholin-2-yl}methyl)oxy]-N-(3,4-dichlorophenyl)-6-(methyloxy)quinazolin-4-amine
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| Structure |
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| Formula |
C23H25Cl3N4O5S
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| Molecular Weight |
575.902
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| Canonical SMILES |
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1CN(S(=O)(=O)CCCCl)CCO1
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| InChI |
InChI=1S/C23H25Cl3N4O5S/c1-33-21-10-17-20(27-14-28-23(17)29-15-3-4-18(25)19(26)9-15)11-22(21)35-13-16-12-30(6-7-34-16)36(31,32)8-2-5-24/h3-4,9-11,14,16H,2,5-8,12-13H2,1H3,(H,27,28,29)
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| InChIKey |
PFWWSXZJVNFSKD-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