General Information of the Compound
| Compound ID |
CP0469119
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| Compound Name |
(E)-N-[4-[(1-benzylindazol-5-yl)amino]-7-(2-methoxyethoxy)quinazolin-6-yl]-4-(4-methylpiperazin-1-yl)but-2-enamide
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| Structure |
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| Formula |
C34H38N8O3
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| Molecular Weight |
606.731
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| Canonical SMILES |
COCCOc1cc2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2cc1NC(=O)\C=C\CN1CCN(C)CC1
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| InChI |
InChI=1S/C34H38N8O3/c1-40-13-15-41(16-14-40)12-6-9-33(43)39-30-20-28-29(21-32(30)45-18-17-44-2)35-24-36-34(28)38-27-10-11-31-26(19-27)22-37-42(31)23-25-7-4-3-5-8-25/h3-11,19-22,24H,12-18,23H2,1-2H3,(H,39,43)(H,35,36,38)/b9-6+
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| InChIKey |
UCBARNSJTRWXQT-RMKNXTFCSA-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
Protein ID: PT00892, Tyrosine-protein kinase JAK3