2-(4-chlorophenyl)-2-oxoethyl N-(phenoxycarbonyl)tryptophanate
AlkaPlorer ID: AK518404
Synonym: None
IUPAC Name: [2-(4-chlorophenyl)-2-oxoethyl] 3-(1H-indol-3-yl)-2-(phenoxycarbonylamino)propanoate
Structure
SMILES: O=C(NC(CC1=CNC2=CC=CC=C12)C(=O)OCC(=O)C1=CC=C(Cl)C=C1)OC1=CC=CC=C1
InChI: InChI=1S/C26H21ClN2O5/c27-19-12-10-17(11-13-19)24(30)16-33-25(31)23(29-26(32)34-20-6-2-1-3-7-20)14-18-15-28-22-9-5-4-8-21(18)22/h1-13,15,23,28H,14,16H2,(H,29,32)
InChIKey: RYRBUBQPJDORPI-UHFFFAOYSA-N
Reference
Cytotoxic Chemical Constituents from the Roots of <i>Cimicifuga fetida</i>
PubChem CID: 46499868
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 476.9160000000002
TPSA？: 97.49
MolLogP？: 4.947100000000003
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Integrin alpha-V/beta-3 | Inhibition | 29.0 | % | 10.1016/j.bmcl.2010.09.092 |