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Chemical structure of DB04760 analog 1

GC38765

DB04760 analog 1

Also known as 3-N,5-N-bis[(4-fluoro-3-methylphenyl)methyl]pyridine-3,5-dicarboxamide

DB04760 analog 1 is an analogue of DB04760

ChemicalCAS2728373-94-0MW409.43FormulaC23H21F2N3O2
CAS number
2728373-94-0
Molecular weight
409.43
Formula
C23H21F2N3O2
Solubility
DMSO： ≥ 270 mg/mL (659·45 mM)
InChIKey
OJLMGGCCARSXJV-UHFFFAOYSA-N
Catalogue number
GC38765
Brand
GLPBIO
Computed properties PubChem CID 145925691 · XLogP 3.3 · TPSA 71.1 Ų · H-bond donors 2
XLogP
3.3
TPSA
71.1 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
30

SMILES CC1=C(C=CC(=C1)CNC(=O)C2=CC(=CN=C2)C(=O)NCC3=CC(=C(C=C3)F)C)F

Computed descriptors from PubChem (CID 145925691), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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