General Information of the Compound
| Compound ID |
CP0524356
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| Compound Name |
6-[(2H-1,3-benzodioxol-5-ylmethyl)amino]-2-(2,6-dimethoxypyridin-3-yl)-N-(2-phenoxyethyl)pyridine-3-carboxamide
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| Structure |
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| Formula |
C29H28N4O6
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| Molecular Weight |
528.565
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| Canonical SMILES |
COc1ccc(c(OC)n1)-c1nc(NCc2ccc3OCOc3c2)ccc1C(=O)NCCOc1ccccc1
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| InChI |
InChI=1S/C29H28N4O6/c1-35-26-13-10-22(29(33-26)36-2)27-21(28(34)30-14-15-37-20-6-4-3-5-7-20)9-12-25(32-27)31-17-19-8-11-23-24(16-19)39-18-38-23/h3-13,16H,14-15,17-18H2,1-2H3,(H,30,34)(H,31,32)
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| InChIKey |
YMCJDYIILUDXOU-UHFFFAOYSA-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