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Chemical structure of YHO-13351 free base

GC33056

YHO-13351 free base

Also known as [1-[5-[(Z)-2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]thiophen-2-yl]piperidin-4-yl] 2-(diethylamino)acetate

YHO-13351 free base is the prodrug of YHO-13177, which is a potent and specific inhibitor of BCRP

ChemicalCAS912288-64-3MW483.62FormulaC26H33N3O4S
CAS number
912288-64-3
Molecular weight
483.62
Formula
C26H33N3O4S
Solubility
DMSO : ≥ 30 mg/mL (62·03 mM)
InChIKey
STLNUMIUXISGQQ-HMMYKYKNSA-N
Catalogue number
GC33056
Brand
GLPBIO
Computed properties PubChem CID 11964785 · XLogP 5.1 · TPSA 103 Ų · H-bond donors 0
XLogP
5.1
TPSA
103 Ų
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
11
Heavy atoms
34

SMILES CCN(CC)CC(=O)OC1CCN(CC1)C2=CC=C(S2)/C=C(\C#N)/C3=CC(=C(C=C3)OC)OC

Computed descriptors from PubChem (CID 11964785), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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