General Information of the Compound
| Compound ID |
CP0428579
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| Compound Name |
N-[2-[3-[[5-[3-(azetidine-1-carbonyl)phenyl]-2-methoxyphenyl]sulfonylamino]anilino]ethyl]-2-methoxybenzamide
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| Structure |
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| Formula |
C33H34N4O6S
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| Molecular Weight |
614.724
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| Canonical SMILES |
COc1ccccc1C(=O)NCCNc1cccc(NS(=O)(=O)c2cc(ccc2OC)-c2cccc(c2)C(=O)N2CCC2)c1
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| InChI |
InChI=1S/C33H34N4O6S/c1-42-29-13-4-3-12-28(29)32(38)35-17-16-34-26-10-6-11-27(22-26)36-44(40,41)31-21-24(14-15-30(31)43-2)23-8-5-9-25(20-23)33(39)37-18-7-19-37/h3-6,8-15,20-22,34,36H,7,16-19H2,1-2H3,(H,35,38)
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| InChIKey |
YLNLBHUCFXXOMC-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