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Chemical structure of PKUMDL WQ 2101

GC50508

PKUMDL WQ 2101

Also known as 2,4-dihydroxy-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide

Negative allosteric modulator of 3-phosphoglycerate dehydrogenase (PHGDH)

ChemicalCAS304481-72-9MW317.25FormulaC14H11N3O6
CAS number
304481-72-9
Molecular weight
317.25
Formula
C14H11N3O6
Solubility
Soluble in DMSO
InChIKey
OXONIXZPWKJHMW-VIZOYTHASA-N
Catalogue number
GC50508
Brand
GLPBIO
Computed properties PubChem CID 135403154 · XLogP 2.1 · TPSA 148 Ų · H-bond donors 4
XLogP
2.1
TPSA
148 Ų
H-bond donors
4
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
23

SMILES C1=CC(=C(C=C1[N+](=O)[O-])/C=N/NC(=O)C2=C(C=C(C=C2)O)O)O

Computed descriptors from PubChem (CID 135403154), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Documents
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