General Information of the Compound
Compound ID
CP0576514
Compound Name
2,4-dichloro-3-(4-methoxy-3-propan-2-ylphenoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide
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Structure
Formula
C24H24Cl2N2O5S
Molecular Weight
523.438
Canonical SMILES
COc1ccc(Oc2c(Cl)ccc(C(=O)NCc3ccc(cc3)S(N)(=O)=O)c2Cl)cc1C(C)C
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InChI
InChI=1S/C24H24Cl2N2O5S/c1-14(2)19-12-16(6-11-21(19)32-3)33-23-20(25)10-9-18(22(23)26)24(29)28-13-15-4-7-17(8-5-15)34(27,30)31/h4-12,14H,13H2,1-3H3,(H,28,29)(H2,27,30,31)
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InChIKey
XGRUKCXIJIREAL-UHFFFAOYSA-N
Physicochemical Property
logP
5.4951
Rotatable Bonds
8
Heavy Atom Count
34
Polar Areas
107.72
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
34

"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).

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PubChem ID
CID: 155781906
ChEMBL ID
CHEMBL4783854
Map of Molecular Bioactivity Related to the Compound
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
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT02663, Nuclear receptor ROR-gamma
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000001 Jurkat Homo sapiens (Human)  1
1
EC50 = 7 nM
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