General Information of the Compound
| Compound ID |
CP0431358
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| Compound Name |
(E)-N-[7-methoxy-4-[4-(pyridin-2-ylmethyl)anilino]quinazolin-6-yl]-4-pyrrolidin-1-ylbut-2-enamide
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| Structure |
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| Formula |
C29H30N6O2
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| Molecular Weight |
494.599
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| Canonical SMILES |
COc1cc2ncnc(Nc3ccc(Cc4ccccn4)cc3)c2cc1NC(=O)\C=C\CN1CCCC1
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| InChI |
InChI=1S/C29H30N6O2/c1-37-27-19-25-24(18-26(27)34-28(36)8-6-16-35-14-4-5-15-35)29(32-20-31-25)33-22-11-9-21(10-12-22)17-23-7-2-3-13-30-23/h2-3,6-13,18-20H,4-5,14-17H2,1H3,(H,34,36)(H,31,32,33)/b8-6+
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| InChIKey |
GFPQRHXCPZSHRH-SOFGYWHQSA-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