General Information of the Compound
| Compound ID |
CP0543226
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| Compound Name |
5-{(E)-2-[({[2,4-Dimethyl-3-(3-methyl-quinoxalin-5-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-carbamoyl]-vinyl}-pyridine-2-carboxylic acid methylamide
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| Structure |
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| Formula |
C31H32N6O4
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| Molecular Weight |
552.635
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| Canonical SMILES |
CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(C)c(COc3cccc4ncc(C)nc34)c2C)cn1
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| InChI |
InChI=1S/C31H32N6O4/c1-19-9-13-26(21(3)23(19)18-41-27-8-6-7-24-30(27)36-20(2)15-33-24)37(5)29(39)17-35-28(38)14-11-22-10-12-25(34-16-22)31(40)32-4/h6-16H,17-18H2,1-5H3,(H,32,40)(H,35,38)/b14-11+
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| InChIKey |
MXANJYXGXRZELX-SDNWHVSQSA-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