General Information of the Compound
| Compound ID |
CP0374474
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| Compound Name |
(E)-N-[4-[(1-benzylindazol-5-yl)amino]-7-ethoxyquinazolin-6-yl]-4-[di(propan-2-yl)amino]but-2-enamide
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| Structure |
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| Formula |
C34H39N7O2
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| Molecular Weight |
577.733
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| Canonical SMILES |
CCOc1cc2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2cc1NC(=O)\C=C\CN(C(C)C)C(C)C
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| InChI |
InChI=1S/C34H39N7O2/c1-6-43-32-19-29-28(18-30(32)39-33(42)13-10-16-40(23(2)3)24(4)5)34(36-22-35-29)38-27-14-15-31-26(17-27)20-37-41(31)21-25-11-8-7-9-12-25/h7-15,17-20,22-24H,6,16,21H2,1-5H3,(H,39,42)(H,35,36,38)/b13-10+
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| InChIKey |
ACNYXAIBELJFSP-JLHYYAGUSA-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