General Information of the Compound
| Compound ID |
CP0135614
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| Compound Name |
(E)-1-[4-(3-ethynylanilino)-7,8-dihydropyrimido[5,4-g][1,4]benzoxazin-6-yl]-4-morpholin-4-ylbut-2-en-1-one
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| Structure |
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| Formula |
C26H25N5O3
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| Molecular Weight |
455.518
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| Canonical SMILES |
O=C(\C=C\CN1CCOCC1)N1CCOc2cc3ncnc(Nc4cccc(c4)C#C)c3cc12
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| InChI |
InChI=1S/C26H25N5O3/c1-2-19-5-3-6-20(15-19)29-26-21-16-23-24(17-22(21)27-18-28-26)34-14-11-31(23)25(32)7-4-8-30-9-12-33-13-10-30/h1,3-7,15-18H,8-14H2,(H,27,28,29)/b7-4+
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| InChIKey |
LKWYXKBTCVQGAD-QPJJXVBHSA-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