L-772,405   

GtoPdb Ligand ID: 16

Synonyms: L 772405 | L-772405
Compound class: Synthetic organic
2D Structure
Click here for structure editor
Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 9
Topological polar surface area 81.48
Molecular weight 462.25
XLogP 4.72
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES OCC(c1ccc(cc1)F)NC1CCN(CC1)CCCc1c[nH]c2c1cc(cc2)n1cnnc1
Isomeric SMILES OC[C@@H](c1ccc(cc1)F)NC1CCN(CC1)CCCc1c[nH]c2c1cc(cc2)n1cnnc1
InChI InChI=1S/C26H31FN6O/c27-21-5-3-19(4-6-21)26(16-34)31-22-9-12-32(13-10-22)11-1-2-20-15-28-25-8-7-23(14-24(20)25)33-17-29-30-18-33/h3-8,14-15,17-18,22,26,28,31,34H,1-2,9-13,16H2/t26-/m0/s1
InChI Key HNKDAQNYMJNLCC-SANMLTNESA-N
Classification
Compound class Synthetic organic
IUPAC Name
(2R)-2-(4-fluorophenyl)-2-[[1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-yl]amino]ethanol
Synonyms
L 772405 | L-772405
Database Links
BindingDB Ligand 50060429
ChEMBL Ligand CHEMBL313714
GtoPdb PubChem SID 135650493
PubChem CID 9847194
Search Google for chemical match using the InChIKey HNKDAQNYMJNLCC-SANMLTNESA-N
Search Google for chemicals with the same backbone HNKDAQNYMJNLCC
Search UniChem for chemical match using the InChIKey HNKDAQNYMJNLCC-SANMLTNESA-N
Search UniChem for chemicals with the same backbone HNKDAQNYMJNLCC