General Information of the Compound
| Compound ID |
CP0402376
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| Compound Name |
N-(benzenesulfonyl)-2-methyl-2-[4-[2-[4-(phenylcarbamoylamino)phenoxy]ethyl]phenoxy]propanamide
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| Structure |
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| Formula |
C31H31N3O6S
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| Molecular Weight |
573.671
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| Canonical SMILES |
CC(C)(Oc1ccc(CCOc2ccc(NC(=O)Nc3ccccc3)cc2)cc1)C(=O)NS(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C31H31N3O6S/c1-31(2,29(35)34-41(37,38)28-11-7-4-8-12-28)40-27-17-13-23(14-18-27)21-22-39-26-19-15-25(16-20-26)33-30(36)32-24-9-5-3-6-10-24/h3-20H,21-22H2,1-2H3,(H,34,35)(H2,32,33,36)
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| InChIKey |
OBXRHFHMEUTXQC-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