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Chemical structure of PD123319

GC16394

PD123319

Also known as 1-[[4-(dimethylamino)-3-methylphenyl]methyl]-5-(2,2-diphenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid

PD123319 is a non-peptide inhibitor of angiotensin II receptor with IC50 value of 34nM

ChemicalCAS130663-39-7MW508.61FormulaC31H32N4O3
CAS number
130663-39-7
Molecular weight
508.61
Formula
C31H32N4O3
Solubility
≥ 22·4mg/mL in DMSO, ≥ 140 mg/mL in EtOH, ≥ 104·2 mg/mL in Water
InChIKey
YSTVFDAKLDMYCR-UHFFFAOYSA-N
Catalogue number
GC16394
Brand
GLPBIO
Computed properties PubChem CID 4701 · XLogP 4.4 · TPSA 78.7 Ų · H-bond donors 1
XLogP
4.4
TPSA
78.7 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
38

SMILES CC1=C(C=CC(=C1)CN2C=NC3=C2CC(N(C3)C(=O)C(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)O)N(C)C

Computed descriptors from PubChem (CID 4701), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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