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Chemical structure of Encequidar

GC31340

Encequidar

Also listed as Encequidar (HM30181)

Encequidar (HM30181) (HM30181; HM30181A) is a potent and selective inhibitor of P-glycoprotein

ChemicalCAS849675-66-7MW688.73FormulaC38H36N6O7
CAS number
849675-66-7
Molecular weight
688.73
Formula
C38H36N6O7
Solubility
2·4mg/mL in DMSO (Need ultrasonic); 50mg/mL in DMF (Need ultrasonic)·
InChIKey
AHJUHHDDCJQACA-UHFFFAOYSA-N
Catalogue number
GC31340
Brand
GLPBIO
Computed properties PubChem CID 11399764 · XLogP 5.8 · TPSA 139 Ų · H-bond donors 1
XLogP
5.8
TPSA
139 Ų
H-bond donors
1
H-bond acceptors
11
Rotatable bonds
11
Heavy atoms
51

SMILES COC1=C(C=C2CN(CCC2=C1)CCC3=CC=C(C=C3)N4N=C(N=N4)C5=CC(=C(C=C5NC(=O)C6=CC(=O)C7=CC=CC=C7O6)OC)OC)OC

Computed descriptors from PubChem (CID 11399764), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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