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Chemical structure of H2L 5765834

GC15428

H2L 5765834

Also known as 2-[3-(4-nitrophenoxy)phenyl]-1,3-dioxoisoindole-5-carboxylic acid

lysophosphatidic acid receptors antagonist

ChemicalCAS420841-84-5MW404.33FormulaC21H12N2O7
CAS number
420841-84-5
Molecular weight
404.33
Formula
C21H12N2O7
Solubility
<40·43mg/ml in DMSO
InChIKey
HFYPTENHTPNXGP-UHFFFAOYSA-N
Catalogue number
GC15428
Brand
GLPBIO
Computed properties PubChem CID 1365686 · XLogP 3.3 · TPSA 130 Ų · H-bond donors 1
XLogP
3.3
TPSA
130 Ų
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
30

SMILES C1=CC(=CC(=C1)OC2=CC=C(C=C2)[N+](=O)[O-])N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)O

Computed descriptors from PubChem (CID 1365686), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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