General Information of the Compound
| Compound ID |
CP0380020
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| Compound Name |
N-[4-[4-(benzylamino)anilino]-7-methoxyquinazolin-6-yl]propanamide
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| Structure |
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| Formula |
C25H25N5O2
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| Molecular Weight |
427.508
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| Canonical SMILES |
CCC(=O)Nc1cc2c(Nc3ccc(NCc4ccccc4)cc3)ncnc2cc1OC
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| InChI |
InChI=1S/C25H25N5O2/c1-3-24(31)30-22-13-20-21(14-23(22)32-2)27-16-28-25(20)29-19-11-9-18(10-12-19)26-15-17-7-5-4-6-8-17/h4-14,16,26H,3,15H2,1-2H3,(H,30,31)(H,27,28,29)
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| InChIKey |
UQILHDPEYNQZHG-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