General Information of the Compound
| Compound ID |
CP0379987
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| Compound Name |
N-[4-[4-(1,3-benzodioxol-5-yloxy)anilino]-7-methoxyquinazolin-6-yl]propanamide
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| Structure |
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| Formula |
C25H22N4O5
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| Molecular Weight |
458.474
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| Canonical SMILES |
CCC(=O)Nc1cc2c(Nc3ccc(Oc4ccc5OCOc5c4)cc3)ncnc2cc1OC
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| InChI |
InChI=1S/C25H22N4O5/c1-3-24(30)29-20-11-18-19(12-22(20)31-2)26-13-27-25(18)28-15-4-6-16(7-5-15)34-17-8-9-21-23(10-17)33-14-32-21/h4-13H,3,14H2,1-2H3,(H,29,30)(H,26,27,28)
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| InChIKey |
FPGRQRNSVWYTAO-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: PT00922, Epidermal growth factor receptor
Protein ID: PT01159, Receptor tyrosine-protein kinase erbB-4