General Information of the Compound
| Compound ID |
CP0374470
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| Compound Name |
(E)-N-[4-[(1-benzylindazol-5-yl)amino]-7-ethoxyquinazolin-6-yl]-4-morpholin-4-ylbut-2-enamide
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| Structure |
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| Formula |
C32H33N7O3
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| Molecular Weight |
563.662
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| Canonical SMILES |
CCOc1cc2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2cc1NC(=O)\C=C\CN1CCOCC1
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| InChI |
InChI=1S/C32H33N7O3/c1-2-42-30-19-27-26(18-28(30)37-31(40)9-6-12-38-13-15-41-16-14-38)32(34-22-33-27)36-25-10-11-29-24(17-25)20-35-39(29)21-23-7-4-3-5-8-23/h3-11,17-20,22H,2,12-16,21H2,1H3,(H,37,40)(H,33,34,36)/b9-6+
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| InChIKey |
WPKVIBFJECQBCV-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