MM 11253   Click here for help

GtoPdb Ligand ID: 4062

Synonyms: MM-11253 | MM11253
Compound class: Synthetic organic
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 87.9
Molecular weight 462.17
XLogP 9.05
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES OC(=O)c1ccc2c(c1)ccc(c2)C1(SCCS1)c1ccc2c(c1)C(C)(C)CCC2(C)C
Isomeric SMILES OC(=O)c1ccc2c(c1)ccc(c2)C1(SCCS1)c1ccc2c(c1)C(C)(C)CCC2(C)C
InChI InChI=1S/C28H30O2S2/c1-26(2)11-12-27(3,4)24-17-22(9-10-23(24)26)28(31-13-14-32-28)21-8-7-18-15-20(25(29)30)6-5-19(18)16-21/h5-10,15-17H,11-14H2,1-4H3,(H,29,30)
InChI Key DPVGXUNWCVEIGT-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
6-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dithiolan-2-yl]naphthalene-2-carboxylic acid
Synonyms Click here for help
MM-11253 | MM11253
Database Links Click here for help
CAS Registry No. 345952-44-5
GtoPdb PubChem SID 178100886
PubChem CID 10389639
Search Google for chemical match using the InChIKey DPVGXUNWCVEIGT-UHFFFAOYSA-N
Search Google for chemicals with the same backbone DPVGXUNWCVEIGT
Search UniChem for chemical match using the InChIKey DPVGXUNWCVEIGT-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone DPVGXUNWCVEIGT

Product suppliers

View disclaimer

Tocris
MM 11253
Cat. No. 3822