Molecule card · MolClass #41563

14727556

14727556: 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: 14727556Mitochondrial Fusion · compound_name
MolClass ID: 41563
InChIKey: KUUDCXGUWLYZPK-UHFFFAOYSA-N
Canonical SMILES: CC(C)NC(=O)NS(=O)(=O)c3cnccc3(NC2CC1CCC2(C1))
Standard InChI: InChI=1S/C16H24N4O3S/c1-10(2)18-16(21)20-24(22,23)15-9-17-6-5-13(15)19-14-8-11-3-4-12(14)7-11/h5-6,9-12,14H,3-4,7-8H2,1-2H3,(H,17,19)(H2,18,20,21)
Stored Murcko scaffold: n1ccc(cc1)NC2CC3CCC2C3

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.

No other molecules currently have this stored scaffold.

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 7; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 3; CDK 2.12 · 2026-08-19
Rotatable bonds: 7; CDK 2.12 · 2026-08-19
Topological polar surface area: 108.57 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 352.453 g/mol; CDK 2.12 · 2026-08-19
XLogP: 2.256; 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 · 14727556