Molecule card · MolClass #38741

17511318

17511318: 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: 17511318Mitochondrial Fusion · compound_name
MolClass ID: 38741
InChIKey: MZLRSFBNYSKEPU-XJKSGUPXSA-N
Canonical SMILES: O=C(NS(=O)(=O)Oc1ccc(cc1)Cl)OCC2CCCN3CCCCC23
Standard InChI: InChI=1S/C17H23ClN2O5S/c18-14-6-8-15(9-7-14)25-26(22,23)19-17(21)24-12-13-4-3-11-20-10-2-1-5-16(13)20/h6-9,13,16H,1-5,10-12H2,(H,19,21)/t13-,16+/m0/s1
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
24813765#38805

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: 402.895 g/mol; CDK 2.12 · 2026-08-19
XLogP: 2.196; 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 · 17511318