AMG628   Click here for help

GtoPdb Ligand ID: 4130

Synonyms: AMG 628 | AMG-628
Compound class: Synthetic organic
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 111.72
Molecular weight 492.17
XLogP 4.2
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES CC(=O)Nc1sc2c(n1)c(ccc2)Oc1ncnc(c1)N1CCN(CC1)C(c1ccc(cc1)F)C
Isomeric SMILES CC(=O)Nc1sc2c(n1)c(ccc2)Oc1ncnc(c1)N1CCN(CC1)[C@@H](c1ccc(cc1)F)C
InChI InChI=1S/C25H25FN6O2S/c1-16(18-6-8-19(26)9-7-18)31-10-12-32(13-11-31)22-14-23(28-15-27-22)34-20-4-3-5-21-24(20)30-25(35-21)29-17(2)33/h3-9,14-16H,10-13H2,1-2H3,(H,29,30,33)/t16-/m1/s1
InChI Key QUHZTEMPQQZPNB-MRXNPFEDSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-{4-[(6-{4-[(1R)-1-(4-fluorophenyl)ethyl]piperazin-1-yl}pyrimidin-4-yl)oxy]-1,3-benzothiazol-2-yl}acetamide
Synonyms Click here for help
AMG 628 | AMG-628
Database Links Click here for help
CAS Registry No. 862269-93-0 (source: Scifinder)
ChEMBL Ligand CHEMBL226574
GtoPdb PubChem SID 178100952
PubChem CID 11352366
Search Google for chemical match using the InChIKey QUHZTEMPQQZPNB-MRXNPFEDSA-N
Search Google for chemicals with the same backbone QUHZTEMPQQZPNB
Search UniChem for chemical match using the InChIKey QUHZTEMPQQZPNB-MRXNPFEDSA-N
Search UniChem for chemicals with the same backbone QUHZTEMPQQZPNB