General Information of the Compound
| Compound ID |
CP0381416
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| Compound Name |
2-methoxy-N-[2-[3-[(2-methoxy-5-pyridin-3-ylphenyl)sulfonylamino]anilino]ethyl]benzamide
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| Structure |
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| Formula |
C28H28N4O5S
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| Molecular Weight |
532.622
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| Canonical SMILES |
COc1ccccc1C(=O)NCCNc1cccc(NS(=O)(=O)c2cc(ccc2OC)-c2cccnc2)c1
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| InChI |
InChI=1S/C28H28N4O5S/c1-36-25-11-4-3-10-24(25)28(33)31-16-15-30-22-8-5-9-23(18-22)32-38(34,35)27-17-20(12-13-26(27)37-2)21-7-6-14-29-19-21/h3-14,17-19,30,32H,15-16H2,1-2H3,(H,31,33)
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| InChIKey |
MLEYFDJNWQGHCP-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