Structure of molecule 48410

Molecule card · MolClass #48410

24796332

24796332: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.

1 source records · 0 model builds with saved results

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Structure and identifiers

Imported compound names
24796332Mitochondrial Fusion · compound_name
MolClass ID
48410
InChIKey
WGOSQVWTSRIFNY-UHFFFAOYSA-N
Canonical SMILES
Cc2nsc(Nc1ccc(cc1)[N+](=O)[O-])c2(C#N)
Standard InChI
InChI=1S/C11H8N4O2S/c1-7-10(6-12)11(18-14-7)13-8-2-4-9(5-3-8)15(16)17/h2-5,13H,1H3
Stored Murcko scaffold
n1sc(cc1)Nc2ccccc2

Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.

Molecules with the same Murcko scaffold

Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors
3
CDK 2.12 · 2026-08-19
Hydrogen bond donors
1
CDK 2.12 · 2026-08-19
Rotatable bonds
3
CDK 2.12 · 2026-08-19
Topological polar surface area
120.09 Ų
CDK 2.12 · 2026-08-19
Molecular weight
260.273 g/mol
CDK 2.12 · 2026-08-19
XLogP
1.918
CDK 2.12 · 2026-08-19

Saved model predictions

Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.

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Source datasets

Dataset registrations and identifiers stored in MolClass.

  • Mitochondrial Fusion

    Dataset #19 · 24796332