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Chemical structure of Nelutroctiv

GC69546

Nelutroctiv

Also known as (1R,3R,5R)-N-[(R)-cyclopropyl-[2,5-difluoro-4-(trifluoromethyl)phenyl]methyl]-2-(5-methylsulfonylpyridine-3-carbonyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide

Nelutroctiv is an effective cardiac myofilament calcium sensitizer

ChemicalCAS2299177-09-4MW543.51FormulaC24H22F5N3O4S
CAS number
2299177-09-4
Molecular weight
543.51
Formula
C24H22F5N3O4S
Solubility
DMSO ： 100 mg/mL (183·99 mM; Need ultrasonic)
InChIKey
BDIJXTIDFAIBQF-OOCUOIDPSA-N
Catalogue number
GC69546
Brand
GLPBIO
Computed properties PubChem CID 137543908 · XLogP 2.9 · TPSA 105 Ų · H-bond donors 1
XLogP
2.9
TPSA
105 Ų
H-bond donors
1
H-bond acceptors
10
Rotatable bonds
6
Heavy atoms
37

SMILES CS(=O)(=O)C1=CN=CC(=C1)C(=O)N2[C@@H]3C[C@@H]3C[C@@H]2C(=O)N[C@H](C4CC4)C5=CC(=C(C=C5F)C(F)(F)F)F

Computed descriptors from PubChem (CID 137543908), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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