General Information of the Compound
| Compound ID |
CP0484469
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| Compound Name |
(E)-4-(dimethylamino)-N-[4-(4-phenoxyanilino)pyrido[3,4-d]pyrimidin-6-yl]but-2-enamide
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| Structure |
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| Formula |
C25H24N6O2
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| Molecular Weight |
440.507
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| Canonical SMILES |
CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(Oc4ccccc4)cc3)ncnc2cn1
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| InChI |
InChI=1S/C25H24N6O2/c1-31(2)14-6-9-24(32)30-23-15-21-22(16-26-23)27-17-28-25(21)29-18-10-12-20(13-11-18)33-19-7-4-3-5-8-19/h3-13,15-17H,14H2,1-2H3,(H,26,30,32)(H,27,28,29)/b9-6+
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| InChIKey |
HNYGKXWZBOTZFA-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