General Information of the Compound
| Compound ID |
CP0464953
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| Compound Name |
(E)-N-[4-(4-phenoxyanilino)pyrido[3,4-d]pyrimidin-6-yl]-4-pyrrolidin-1-ylbut-2-enamide
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| Structure |
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| Formula |
C27H26N6O2
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| Molecular Weight |
466.545
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| Canonical SMILES |
O=C(Nc1cc2c(Nc3ccc(Oc4ccccc4)cc3)ncnc2cn1)\C=C\CN1CCCC1
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| InChI |
InChI=1S/C27H26N6O2/c34-26(9-6-16-33-14-4-5-15-33)32-25-17-23-24(18-28-25)29-19-30-27(23)31-20-10-12-22(13-11-20)35-21-7-2-1-3-8-21/h1-3,6-13,17-19H,4-5,14-16H2,(H,28,32,34)(H,29,30,31)/b9-6+
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| InChIKey |
KCHHPNMKOHRFDK-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