General Information of the Compound
| Compound ID |
CP0070350
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| Compound Name |
(E)-4-(diethylamino)-1-[4-(3-ethynylanilino)-7,8-dihydropyrimido[5,4-g][1,4]benzoxazin-6-yl]but-2-en-1-one
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| Structure |
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| Formula |
C26H27N5O2
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| Molecular Weight |
441.535
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| Canonical SMILES |
CCN(CC)C\C=C\C(=O)N1CCOc2cc3ncnc(Nc4cccc(c4)C#C)c3cc12
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| InChI |
InChI=1S/C26H27N5O2/c1-4-19-9-7-10-20(15-19)29-26-21-16-23-24(17-22(21)27-18-28-26)33-14-13-31(23)25(32)11-8-12-30(5-2)6-3/h1,7-11,15-18H,5-6,12-14H2,2-3H3,(H,27,28,29)/b11-8+
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| InChIKey |
DUTQQQQGZMCEIA-DHZHZOJOSA-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
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000216 | NCI-N87 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 150 nM
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| CL000218 | BT-474 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 550 nM
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