LS-192629   

GtoPdb Ligand ID: 2192

Synonyms: LS 192629 | LS192629
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 91.23
Molecular weight 471.22
XLogP 4.43
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CON=C1CN(C(C1)C(=O)NCC(c1ccccc1)O)C(=O)c1ccc(cc1)c1ccccc1C
Isomeric SMILES CO/N=C/1\CN([C@@H](C1)C(=O)NC[C@H](c1ccccc1)O)C(=O)c1ccc(cc1)c1ccccc1C
InChI InChI=1S/C28H29N3O4/c1-19-8-6-7-11-24(19)20-12-14-22(15-13-20)28(34)31-18-23(30-35-2)16-25(31)27(33)29-17-26(32)21-9-4-3-5-10-21/h3-15,25-26,32H,16-18H2,1-2H3,(H,29,33)/b30-23-/t25-,26+/m0/s1
InChI Key IBXGJPAYWMFXSF-UEEONYLUSA-N
Classification
Compound class Synthetic organic
IUPAC Name
(2S,4Z)-N-[(2S)-2-hydroxy-2-phenylethyl]-4-methoxyimino-1-[4-(2-methylphenyl)benzoyl]pyrrolidine-2-carboxamide
Synonyms
LS 192629 | LS192629
Database Links
BindingDB Ligand 50326713
ChEMBL Ligand CHEMBL1254024
GtoPdb PubChem SID 135650535
PubChem CID 9690136
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