General Information of the Compound
| Compound ID |
CP0059785
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| Compound Name |
N-[[4-[4-(methanesulfonamido)phenyl]phenyl]methyl]-N-(2-methylpropyl)-1-phenylmethanesulfonamide
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| Structure |
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| Formula |
C25H30N2O4S2
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| Molecular Weight |
486.659
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| Canonical SMILES |
CC(C)CN(Cc1ccc(cc1)-c1ccc(NS(C)(=O)=O)cc1)S(=O)(=O)Cc1ccccc1
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| InChI |
InChI=1S/C25H30N2O4S2/c1-20(2)17-27(33(30,31)19-22-7-5-4-6-8-22)18-21-9-11-23(12-10-21)24-13-15-25(16-14-24)26-32(3,28)29/h4-16,20,26H,17-19H2,1-3H3
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| InChIKey |
BETLCLLQVPJRSB-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
Protein ID: PT02658, Nuclear receptor ROR-alpha
Protein ID: PT03033, Nuclear receptor ROR-beta
Protein ID: PT02663, Nuclear receptor ROR-gamma
Protein ID: PT01555, Oxysterols receptor LXR-alpha
Protein ID: PT01887, Oxysterols receptor LXR-beta