SB269970   Click here for help

GtoPdb Ligand ID: 3233

Synonyms: GR 125743 | SB-269,970 | SB-269970 | SB-269970-A
Compound class: Synthetic organic
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 69.23
Molecular weight 352.18
XLogP 2.83
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES CC1CCN(CC1)CCC1CCCN1S(=O)(=O)c1cccc(c1)O
Isomeric SMILES CC1CCN(CC1)CC[C@H]1CCCN1S(=O)(=O)c1cccc(c1)O
InChI InChI=1S/C18H28N2O3S/c1-15-7-11-19(12-8-15)13-9-16-4-3-10-20(16)24(22,23)18-6-2-5-17(21)14-18/h2,5-6,14-16,21H,3-4,7-13H2,1H3/t16-/m1/s1
InChI Key HWKROQUZSKPIKQ-MRXNPFEDSA-N