AC-186   Click here for help

GtoPdb Ligand ID: 8897

Synonyms: AC 186
Compound class: Synthetic organic
Comment: AC-186 is reported as a selective nonsteroidal estrogen receptor agonist [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 0
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 20.23
Molecular weight 306.12
XLogP 5.71
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES Oc1ccc(cc1)C1(CCC(CC1)(F)F)c1ccccc1F
Isomeric SMILES Oc1ccc(cc1)C1(CCC(CC1)(F)F)c1ccccc1F
InChI InChI=1S/C18H17F3O/c19-16-4-2-1-3-15(16)17(9-11-18(20,21)12-10-17)13-5-7-14(22)8-6-13/h1-8,22H,9-12H2
InChI Key HSMUKSLNDJOZQG-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-[4,4-difluoro-1-(2-fluorophenyl)cyclohexyl]phenol
Synonyms Click here for help
AC 186
Database Links Click here for help
CAS Registry No. 1421854-16-1
GtoPdb PubChem SID 310264678
PubChem CID 71245042
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Tocris
AC 186
Cat. No. 5053