CD2314   

GtoPdb Ligand ID: 8906

Synonyms: CD 2314 | CD-2314
Compound class: Synthetic organic
Comment: CD2314 is a potent and selective retinoic acid receptor β (RARβ) agonist [1-2].
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 65.54
Molecular weight 364.15
XLogP 7.12
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Canonical SMILES OC(=O)c1csc(c1)c1ccc2c(c1)cc1c(c2)C(C)(C)CCC1(C)C
Isomeric SMILES OC(=O)c1csc(c1)c1ccc2c(c1)cc1c(c2)C(C)(C)CCC1(C)C
InChI InChI=1S/C23H24O2S/c1-22(2)7-8-23(3,4)19-11-16-9-15(6-5-14(16)10-18(19)22)20-12-17(13-26-20)21(24)25/h5-6,9-13H,7-8H2,1-4H3,(H,24,25)
InChI Key URUSABQSUCBGGJ-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
5-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)thiophene-3-carboxylic acid
Synonyms
CD 2314 | CD-2314
Comments
CD2314 is a potent and selective retinoic acid receptor β (RARβ) agonist [1-2].
Database Links
CAS Registry No. 170355-37-0
GtoPdb PubChem SID 310264687
PubChem CID 15293210
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Search UniChem for chemical match using the InChIKey URUSABQSUCBGGJ-UHFFFAOYSA-N
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Tocris
CD 2314
Cat. No. 3824