General Information of the Compound
| Compound ID |
CP0546793
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| Compound Name |
N-[2-[3-[[5-(3-aminophenyl)-2-methoxyphenyl]sulfonylamino]anilino]ethyl]-2-methoxybenzamide
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| Structure |
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| Formula |
C29H30N4O5S
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| Molecular Weight |
546.649
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| Canonical SMILES |
COc1ccccc1C(=O)NCCNc1cccc(NS(=O)(=O)c2cc(ccc2OC)-c2cccc(N)c2)c1
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| InChI |
InChI=1S/C29H30N4O5S/c1-37-26-12-4-3-11-25(26)29(34)32-16-15-31-23-9-6-10-24(19-23)33-39(35,36)28-18-21(13-14-27(28)38-2)20-7-5-8-22(30)17-20/h3-14,17-19,31,33H,15-16,30H2,1-2H3,(H,32,34)
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| InChIKey |
GMYOVBWXRYDURC-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