Molecule card · MolClass #51208

17401323

17401323: 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: 17401323Mitochondrial Fusion · compound_name
MolClass ID: 51208
InChIKey: UCODYCNSTFDTLU-UHFFFAOYSA-N
Canonical SMILES: CC(C)NS(=O)(=O)c1ccc(cc1)NC(=O)C3CC2C=CC3(C2)
Standard InChI: InChI=1S/C17H22N2O3S/c1-11(2)19-23(21,22)15-7-5-14(6-8-15)18-17(20)16-10-12-3-4-13(16)9-12/h3-8,11-13,16,19H,9-10H2,1-2H3,(H,18,20)
Stored Murcko scaffold: c1ccc(cc1)N[CH]C2CC3C=CC2C3

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: 5; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 2; CDK 2.12 · 2026-08-19
Rotatable bonds: 6; CDK 2.12 · 2026-08-19
Topological polar surface area: 83.65 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 334.435 g/mol; CDK 2.12 · 2026-08-19
XLogP: 2.504; 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 · 17401323