Molecule

2-[(3R,4S)-3-[[5-[(4-phenylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone

AlkaPlorer ID: AK366214

Synonym: None

IUPAC Name: 2-[(3R,4S)-3-[[5-[(4-phenylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone

Structure

SMILES: O=C(C[C@@H]1CCNC[C@@H]1CC1=NOC(CN2CCN(C3=CC=CC=C3)CC2)=C1)N1CCN(C2=CC=CC=N2)CC1

InChI: InChI=1S/C31H41N7O2/c39-31(38-18-16-37(17-19-38)30-8-4-5-10-33-30)21-25-9-11-32-23-26(25)20-27-22-29(40-34-27)24-35-12-14-36(15-13-35)28-6-2-1-3-7-28/h1-8,10,22,25-26,32H,9,11-21,23-24H2/t25-,26-/m0/s1

InChIKey: DJXKTGKWFAHSBP-UIOOFZCWSA-N

Reference

Starfish Saponins. 55. Isolation, Structure Elucidation, and Biological Activity of the Steroid Oligoglycosides from an Antarctic Starfish of the Family<i>Asteriidae</i>

PubChem CID: 45360537

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain

Properties Information

Molecule Weight: 543.7160000000001

TPSA？: 80.98

MolLogP？: 2.8989000000000003

Number of H-Donors: 1

Number of H-Acceptors: 8

RingCount: 6

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi