NVP-SAA164   Click here for help

GtoPdb Ligand ID: 659

Synonyms: NVP SAA164
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 10
Hydrogen bond donors 1
Rotatable bonds 11
Topological polar surface area 110.88
Molecular weight 659.31
XLogP 3.18
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES CN1CCN(CC1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc(c(c1)C(=O)N1CCOCC1)NCC(c1ccccc1)c1ccccc1
Isomeric SMILES CN1CCN(CC1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc(c(c1)C(=O)N1CCOCC1)NCC(c1ccccc1)c1ccccc1
InChI InChI=1S/C36H45N5O5S/c1-38-18-20-39(21-19-38)35(42)30-14-16-41(17-15-30)47(44,45)31-12-13-34(32(26-31)36(43)40-22-24-46-25-23-40)37-27-33(28-8-4-2-5-9-28)29-10-6-3-7-11-29/h2-13,26,30,33,37H,14-25,27H2,1H3
InChI Key VODUCDWVPSEMSZ-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
[1-[4-[2,2-di(phenyl)ethylamino]-3-(morpholine-4-carbonyl)phenyl]sulfonylpiperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
Synonyms Click here for help
NVP SAA164
Database Links Click here for help
BindingDB Ligand 50151891
ChEMBL Ligand CHEMBL273869
GtoPdb PubChem SID 135650752
PubChem CID 9831083
Search Google for chemical match using the InChIKey VODUCDWVPSEMSZ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone VODUCDWVPSEMSZ
Search UniChem for chemical match using the InChIKey VODUCDWVPSEMSZ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone VODUCDWVPSEMSZ