GW1929   

GtoPdb Ligand ID: 2703

Synonyms: GW 1929 | GW-1929
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 12
Topological polar surface area 91.76
Molecular weight 495.22
XLogP 4.25
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Canonical SMILES OC(=O)C(Nc1ccccc1C(=O)c1ccccc1)Cc1ccc(cc1)OCCN(c1ccccn1)C
Isomeric SMILES OC(=O)[C@@H](Nc1ccccc1C(=O)c1ccccc1)Cc1ccc(cc1)OCCN(c1ccccn1)C
InChI InChI=1S/C30H29N3O4/c1-33(28-13-7-8-18-31-28)19-20-37-24-16-14-22(15-17-24)21-27(30(35)36)32-26-12-6-5-11-25(26)29(34)23-9-3-2-4-10-23/h2-18,27,32H,19-21H2,1H3,(H,35,36)/t27-/m0/s1
InChI Key QTQMRBZOBKYXCG-MHZLTWQESA-N
Classification
Compound class Synthetic organic
IUPAC Name
(2S)-2-[[2-(benzoyl)phenyl]amino]-3-[4-[2-(methyl-pyridin-2-ylamino)ethoxy]phenyl]propanoic acid
Synonyms
GW 1929 | GW-1929
Database Links
BindingDB Ligand 50085048
CAS Registry No. 196808-24-9 (source: Scifinder)
ChEMBL Ligand CHEMBL434063
GtoPdb PubChem SID 135650330
NURSA Ligand 10.1621/ZGND9Z39K3
PubChem CID 6518171
RCSB PDB Ligand EDK
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