FK-788   

GtoPdb Ligand ID: 5855

Synonyms: FK 788 | FK788
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 96.3
Molecular weight 447.17
XLogP 3.85
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES OC(=O)COc1cccc2c1CCC(C2)(O)COC(=O)N(c1ccccc1)c1ccccc1
Isomeric SMILES OC(=O)COc1cccc2c1CC[C@](C2)(O)COC(=O)N(c1ccccc1)c1ccccc1
InChI InChI=1S/C26H25NO6/c28-24(29)17-32-23-13-7-8-19-16-26(31,15-14-22(19)23)18-33-25(30)27(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-13,31H,14-18H2,(H,28,29)/t26-/m1/s1
InChI Key UZJAIYJXBYWENR-AREMUKBSSA-N
Classification
Compound class Synthetic organic
IUPAC Name
2-[[(6R)-6-[di(phenyl)carbamoyloxymethyl]-6-hydroxy-7,8-dihydro-5H-naphthalen-1-yl]oxy]acetic acid
Synonyms
FK 788 | FK788
Database Links
CAS Registry No. 227951-89-5 (source: SciFinder)
ChEMBL Ligand CHEMBL196779
GtoPdb PubChem SID 178102479
PubChem CID 9911469
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