Molecule card · MolClass #38805

24813765

24813765: 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: 24813765Mitochondrial Fusion · compound_name
MolClass ID: 38805
InChIKey: RNTSHHDUKIWVND-UHFFFAOYSA-N
Canonical SMILES: Cc1cccc(c1)OS(=O)(=O)NC(=O)OCC2CCCN3CCCCC23
Standard InChI: InChI=1S/C18H26N2O5S/c1-14-6-4-8-16(12-14)25-26(22,23)19-18(21)24-13-15-7-5-11-20-10-3-2-9-17(15)20/h4,6,8,12,15,17H,2-3,5,7,9-11,13H2,1H3,(H,19,21)
Stored Murcko scaffold: O(SN[CH]OCC1CCCN2CCCCC21)c3ccccc3

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.

17505587#29368
17511318#38741

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 6; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 7; CDK 2.12 · 2026-08-19
Topological polar surface area: 93.32 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 382.476 g/mol; CDK 2.12 · 2026-08-19
XLogP: 2.011; 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.

No saved predictions yet. Explore classification models to choose a prediction.

Source datasets

Dataset registrations and identifiers stored in MolClass.

Mitochondrial Fusion
Dataset #19 · 24813765