Molecule card · MolClass #35874

24784875

24784875: 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: 24784875Mitochondrial Fusion · compound_name
MolClass ID: 35874
InChIKey: SCHHEGRCDHMWSB-UHFFFAOYSA-N
Canonical SMILES: Cc1ccccc1[N+]=4CC(O)(c2cccs2)N3CCCCC3=4
Standard InChI: InChI=1S/C18H21N2OS/c1-14-7-2-3-8-15(14)19-13-18(21,16-9-6-12-22-16)20-11-5-4-10-17(19)20/h2-3,6-9,12,21H,4-5,10-11,13H2,1H3/q+1
Stored Murcko scaffold: s1cccc1C2N3C(=[N+](c4ccccc4)C2)CCCC3

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.

24784656#25893
24816424#35758
24789965#35858
24781690#35999

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 2; 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: 54.72 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 313.439 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.613; 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 · 24784875