General Information of the Compound
| Compound ID |
CP0203415
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| Compound Name |
(E)-1-[4-(3-ethynylanilino)-7,8-dihydropyrimido[5,4-g][1,4]benzoxazin-6-yl]-4-(4-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 |
CC1CCN(C\C=C\C(=O)N2CCOc3cc4ncnc(Nc5cccc(c5)C#C)c4cc23)CC1
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| InChI |
InChI=1S/C28H29N5O2/c1-3-21-6-4-7-22(16-21)31-28-23-17-25-26(18-24(23)29-19-30-28)35-15-14-33(25)27(34)8-5-11-32-12-9-20(2)10-13-32/h1,4-8,16-20H,9-15H2,2H3,(H,29,30,31)/b8-5+
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| InChIKey |
OWUREEFSSOCYKL-VMPITWQZSA-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