Molecule card · MolClass #35551

17401788

17401788: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.

1 source records · 0 model builds with saved results

Explore classification models

Structure and identifiers

Imported compound names: 17401788Mitochondrial Fusion · compound_name
MolClass ID: 35551
InChIKey: RKZHGRODZLGXJQ-UHFFFAOYSA-N
Canonical SMILES: CCc1cc[n+](cc1)C=2[N-]C(=O)SC=2(C=O)
Standard InChI: InChI=1S/C11H10N2O2S/c1-2-8-3-5-13(6-4-8)10-9(7-14)16-11(15)12-10/h3-7H,2H2,1H3
Stored Murcko scaffold: [N-]1[CH]SC=C1[n+]2ccccc2

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.

17401787#25555
17401783#35565
24823161#35611

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 3; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 0; CDK 2.12 · 2026-08-19
Rotatable bonds: 3; CDK 2.12 · 2026-08-19
Topological polar surface area: 63.32 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 234.276 g/mol; CDK 2.12 · 2026-08-19
XLogP: 2.709; 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 · 17401788