General Information of the Compound
| Compound ID |
CP0432972
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| Compound Name |
(E)-N-[4-[4-(pyridin-2-ylmethyl)anilino]pyrido[3,4-d]pyrimidin-6-yl]-4-pyrrolidin-1-ylbut-2-enamide
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| Structure |
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| Formula |
C27H27N7O
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| Molecular Weight |
465.561
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| Canonical SMILES |
O=C(Nc1cc2c(Nc3ccc(Cc4ccccn4)cc3)ncnc2cn1)\C=C\CN1CCCC1
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| InChI |
InChI=1S/C27H27N7O/c35-26(7-5-15-34-13-3-4-14-34)33-25-17-23-24(18-29-25)30-19-31-27(23)32-21-10-8-20(9-11-21)16-22-6-1-2-12-28-22/h1-2,5-12,17-19H,3-4,13-16H2,(H,29,33,35)(H,30,31,32)/b7-5+
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| InChIKey |
JLWZRGNJHZVVKD-FNORWQNLSA-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