PD 128907   

GtoPdb Ligand ID: 952

Synonyms: PD-128,907 | PD128907
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 41.93
Molecular weight 249.14
XLogP 1.59
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CCCN1CCOC2C1COc1c2cc(cc1)O
Isomeric SMILES CCCN1CCO[C@@H]2[C@@H]1COc1c2cc(cc1)O
InChI InChI=1S/C14H19NO3/c1-2-5-15-6-7-17-14-11-8-10(16)3-4-13(11)18-9-12(14)15/h3-4,8,12,14,16H,2,5-7,9H2,1H3/t12-,14-/m0/s1
InChI Key YOILXOMTHPUMRG-JSGCOSHPSA-N
Classification
Compound class Synthetic organic
IUPAC Name
(4aS,10bS)-4-propyl-3,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazin-9-ol
Synonyms
PD-128,907 | PD128907
Database Links
BindingDB Ligand 50090831
CAS Registry No. 123594-64-9 (source: Scifinder)
ChEMBL Ligand CHEMBL97424
GtoPdb PubChem SID 135650793
PubChem CID 115107
Search Google for chemical match using the InChIKey YOILXOMTHPUMRG-JSGCOSHPSA-N
Search Google for chemicals with the same backbone YOILXOMTHPUMRG
Search UniChem for chemical match using the InChIKey YOILXOMTHPUMRG-JSGCOSHPSA-N
Search UniChem for chemicals with the same backbone YOILXOMTHPUMRG
Wikipedia PD-128,907