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Chemical structure of Nvp-leq-506

GC32954

Nvp-leq-506

Also listed as LEQ506 (NVP-LEQ506)

LEQ506 (NVP-LEQ506) is a second-generation inhibitor of smoothened (Smo) with IC50s of 2 and 4 nM in human and mouse, respectively

ChemicalCAS1204975-42-7MW432.56FormulaC25H32N6O
CAS number
1204975-42-7
Molecular weight
432.56
Formula
C25H32N6O
Solubility
DMSO ： ≥ 100 mg/mL (231·18 mM)
InChIKey
POERAARDVFVDLO-QGZVFWFLSA-N
Catalogue number
GC32954
Brand
GLPBIO
Computed properties PubChem CID 45100669 · XLogP 2.9 · TPSA 78.3 Ų · H-bond donors 1
XLogP
2.9
TPSA
78.3 Ų
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
32

SMILES C[C@@H]1CN(CCN1C2=NC=C(N=C2)C(C)(C)O)C3=NN=C(C(=C3C)C)CC4=CC=CC=C4

Computed descriptors from PubChem (CID 45100669), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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