SB 258719   Click here for help

GtoPdb Ligand ID: 281

Synonyms: SB-258,719 | SB-258719 | SB258719
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 0
Rotatable bonds 6
Topological polar surface area 49
Molecular weight 338.2
XLogP 3.59
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES CC1CCN(CC1)CCC(N(S(=O)(=O)c1cccc(c1)C)C)C
Isomeric SMILES CC1CCN(CC1)CC[C@H](N(S(=O)(=O)c1cccc(c1)C)C)C
InChI InChI=1S/C18H30N2O2S/c1-15-8-11-20(12-9-15)13-10-17(3)19(4)23(21,22)18-7-5-6-16(2)14-18/h5-7,14-15,17H,8-13H2,1-4H3/t17-/m1/s1
InChI Key AGVNHDNTFYHZNL-QGZVFWFLSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N,3-dimethyl-N-[(2R)-4-(4-methylpiperidin-1-yl)butan-2-yl]benzenesulfonamide
Synonyms Click here for help
SB-258,719 | SB-258719 | SB258719
Database Links Click here for help
BindingDB Ligand 50098550
ChEMBL Ligand CHEMBL12264
GtoPdb PubChem SID 135651000
PubChem CID 5312148
Search Google for chemical match using the InChIKey AGVNHDNTFYHZNL-QGZVFWFLSA-N
Search Google for chemicals with the same backbone AGVNHDNTFYHZNL
Search UniChem for chemical match using the InChIKey AGVNHDNTFYHZNL-QGZVFWFLSA-N
Search UniChem for chemicals with the same backbone AGVNHDNTFYHZNL
Wikipedia SB-258,719