General Information of the Compound
| Compound ID |
CP0524357
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| Compound Name |
6-{[(3-chlorophenyl)methyl]amino}-2-(2,6-dimethoxypyridin-3-yl)-N-(2-phenoxyethyl)pyridine-3-carboxamide
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| Structure |
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| Formula |
C28H27ClN4O4
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| Molecular Weight |
519.001
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| Canonical SMILES |
COc1ccc(c(OC)n1)-c1nc(NCc2cccc(Cl)c2)ccc1C(=O)NCCOc1ccccc1
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| InChI |
InChI=1S/C28H27ClN4O4/c1-35-25-14-12-23(28(33-25)36-2)26-22(27(34)30-15-16-37-21-9-4-3-5-10-21)11-13-24(32-26)31-18-19-7-6-8-20(29)17-19/h3-14,17H,15-16,18H2,1-2H3,(H,30,34)(H,31,32)
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| InChIKey |
VVUBACWATYILLD-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