General Information of the Compound
| Compound ID |
CP0467071
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| Compound Name |
N-[4-[(1-benzyl-2,3-dihydroindol-5-yl)amino]-7-methoxyquinazolin-6-yl]propanamide
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| Structure |
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| Formula |
C27H27N5O2
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| Molecular Weight |
453.546
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| Canonical SMILES |
CCC(=O)Nc1cc2c(Nc3ccc4N(Cc5ccccc5)CCc4c3)ncnc2cc1OC
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| InChI |
InChI=1S/C27H27N5O2/c1-3-26(33)31-23-14-21-22(15-25(23)34-2)28-17-29-27(21)30-20-9-10-24-19(13-20)11-12-32(24)16-18-7-5-4-6-8-18/h4-10,13-15,17H,3,11-12,16H2,1-2H3,(H,31,33)(H,28,29,30)
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| InChIKey |
BXWNXYKEYCNVLR-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: PT01233, Receptor tyrosine-protein kinase erbB-2
Protein ID: PT01159, Receptor tyrosine-protein kinase erbB-4