2-[(3R,4S)-1-(isopropylcarbamoyl)-3-(2-{methyl[2-(pyridin-2-yl)ethyl]ammonio}ethyl)piperidin-4-yl]acetate
AlkaPlorer ID: AK528025
Synonym: None
IUPAC Name: 2-[3-[2-[methyl(2-pyridin-2-ylethyl)amino]ethyl]-1-(propan-2-ylcarbamoyl)piperidin-4-yl]acetic acid
Structure
SMILES: CC(C)NC(=O)N1CCC(CC(=O)O)C(CCN(C)CCC2=CC=CC=N2)C1
InChI: InChI=1S/C21H34N4O3/c1-16(2)23-21(28)25-13-8-17(14-20(26)27)18(15-25)7-11-24(3)12-9-19-6-4-5-10-22-19/h4-6,10,16-18H,7-9,11-15H2,1-3H3,(H,23,28)(H,26,27)
InChIKey: SVOIRFOIFYWMAQ-UHFFFAOYSA-N
Reference
Extracellular Signal-Regulated Kinases (ERK) Inhibitors from <i>Aristolochia yunnanensis</i>
PubChem CID: 74576741
COCONUT: CNP0057630.1
Source
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Properties Information
Molecule Weight: 390.5280000000001
TPSA？: 85.77
MolLogP？: 2.4768
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 2
Activities Information
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