VPC03090-P   

GtoPdb Ligand ID: 6992

Synonyms: VPC 03090-P | VPC-03090-P
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 11
Topological polar surface area 102.59
Molecular weight 369.21
XLogP 4.09
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Canonical SMILES CCCCCCCCc1cccc(c1)C1CC(C1)(N)COP(=O)(O)O
Isomeric SMILES CCCCCCCCc1cccc(c1)C1CC(C1)(N)COP(=O)(O)O
InChI InChI=1S/C19H32NO4P/c1-2-3-4-5-6-7-9-16-10-8-11-17(12-16)18-13-19(20,14-18)15-24-25(21,22)23/h8,10-12,18H,2-7,9,13-15,20H2,1H3,(H2,21,22,23)
InChI Key LNMFICMTNRORPU-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
[1-amino-3-(3-octylphenyl)cyclobutyl]methyl dihydrogen phosphate
Synonyms
VPC 03090-P | VPC-03090-P
Database Links
GtoPdb PubChem SID 178103571
PubChem CID 73755254
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