RJW100   Click here for help

GtoPdb Ligand ID: 10484

Synonyms: 24-exo [2]
Compound class: Synthetic organic
Comment: RJW100 is a small-molecule synthetic agonist of the orphan nuclear receptors, liver receptor homolog 1 (hLRH-1; NR5A2) and steroidogenic factor-1 (SF-1; NR5A1) [2]. It has good solubility and stability and is suitable as an experimental tool compound.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 20.23
Molecular weight 386.26
XLogP 8.44
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES CCCCCCC1=C(c2ccccc2)C2(C(C1)C(O)CC2)C(=C)c1ccccc1
Isomeric SMILES CCCCCCC1=C(c2ccccc2)[C@]2(C(C1)[C@H](O)CC2)C(=C)c1ccccc1
InChI InChI=1S/C28H34O/c1-3-4-5-8-17-24-20-25-26(29)18-19-28(25,21(2)22-13-9-6-10-14-22)27(24)23-15-11-7-12-16-23/h6-7,9-16,25-26,29H,2-5,8,17-20H2,1H3/t25?,26-,28+/m1/s1
InChI Key ZFXMYHPLTQTTFW-XZSHQJGLSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
rac-(1R,5R,6R)-3-Hexyl-6-hydroxy-2-phenyl-1-(phenylvinyl)-bicyclo[3.3.0]oct-2-ene
Synonyms Click here for help
24-exo [2]
Database Links Click here for help
GtoPdb PubChem SID 385612243
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