SB 235375   

GtoPdb Ligand ID: 5772

Synonyms: SB-235375
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 88.52
Molecular weight 440.17
XLogP 5.45
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Canonical SMILES CCC(c1ccccc1)NC(=O)c1c(OCC(=O)O)c(nc2c1cccc2)c1ccccc1
Isomeric SMILES CC[C@@H](c1ccccc1)NC(=O)c1c(OCC(=O)O)c(nc2c1cccc2)c1ccccc1
InChI InChI=1S/C27H24N2O4/c1-2-21(18-11-5-3-6-12-18)29-27(32)24-20-15-9-10-16-22(20)28-25(19-13-7-4-8-14-19)26(24)33-17-23(30)31/h3-16,21H,2,17H2,1H3,(H,29,32)(H,30,31)/t21-/m0/s1
InChI Key RJIWGNBRTQFKBW-NRFANRHFSA-N
Classification
Compound class Synthetic organic
IUPAC Name
2-[2-phenyl-4-[[(1S)-1-phenylpropyl]carbamoyl]quinolin-3-yl]oxyacetic acid
Synonyms
SB-235375
Database Links
CAS Registry No. 224961-34-6
GtoPdb PubChem SID 178102397
PubChem CID 9846078
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Search UniChem for chemicals with the same backbone RJIWGNBRTQFKBW