General Information of the Compound
| Compound ID |
CP0374472
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| Compound Name |
(E)-N-[7-ethoxy-4-[4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]-4-pyrrolidin-1-ylbut-2-enamide
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| Structure |
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| Formula |
C30H32N6O3
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| Molecular Weight |
524.625
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| Canonical SMILES |
CCOc1cc2ncnc(Nc3ccc(OCc4ccccn4)cc3)c2cc1NC(=O)\C=C\CN1CCCC1
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| InChI |
InChI=1S/C30H32N6O3/c1-2-38-28-19-26-25(18-27(28)35-29(37)9-7-17-36-15-5-6-16-36)30(33-21-32-26)34-22-10-12-24(13-11-22)39-20-23-8-3-4-14-31-23/h3-4,7-14,18-19,21H,2,5-6,15-17,20H2,1H3,(H,35,37)(H,32,33,34)/b9-7+
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| InChIKey |
CZRDEUGQKBEMMH-VQHVLOKHSA-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