General Information of the Compound
| Compound ID |
CP0135616
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| Compound Name |
(E)-1-[4-(3-ethynylanilino)-7,8-dihydropyrimido[5,4-g][1,4]benzoxazin-6-yl]-4-(2-methylpiperidin-1-yl)but-2-en-1-one
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| Structure |
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| Formula |
C28H29N5O2
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| Molecular Weight |
467.573
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| Canonical SMILES |
CC1CCCCN1C\C=C\C(=O)N1CCOc2cc3ncnc(Nc4cccc(c4)C#C)c3cc12
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| InChI |
InChI=1S/C28H29N5O2/c1-3-21-9-6-10-22(16-21)31-28-23-17-25-26(18-24(23)29-19-30-28)35-15-14-33(25)27(34)11-7-13-32-12-5-4-8-20(32)2/h1,6-7,9-11,16-20H,4-5,8,12-15H2,2H3,(H,29,30,31)/b11-7+
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| InChIKey |
DLRIIBCMCAFNRE-YRNVUSSQSA-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