Molecule card · MolClass #46288

7973889

7973889: 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: 7973889Mitochondrial Fusion · compound_name
MolClass ID: 46288
InChIKey: NPGRAIIBMVPZHD-UHFFFAOYSA-N
Canonical SMILES: CS(=O)(=O)Nc1ccc3CCc2cccc1c23
Standard InChI: InChI=1S/C13H13NO2S/c1-17(15,16)14-12-8-7-10-6-5-9-3-2-4-11(12)13(9)10/h2-4,7-8,14H,5-6H2,1H3
Stored Murcko scaffold: c1cc2cccc3c2c(c1)CC3

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.

83-32-9#2473
3807-77-0#7639
602-87-9#8324
749958#10726
861557#35474
24811404#46199

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: 2; CDK 2.12 · 2026-08-19
Topological polar surface area: 54.55 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 247.314 g/mol; CDK 2.12 · 2026-08-19
XLogP: 2.852; 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 · 7973889