Molecule card · MolClass #40072

24821223

24821223: 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: 24821223Mitochondrial Fusion · compound_name
MolClass ID: 40072
InChIKey: SUKVUXFVBCHCRA-UHFFFAOYSA-O
Canonical SMILES: CC(=O)Nc1cc[n+](cc1)C(C)C(=O)c2ccc(cc2)Cl
Standard InChI: InChI=1S/C16H15ClN2O2/c1-11(16(21)13-3-5-14(17)6-4-13)19-9-7-15(8-10-19)18-12(2)20/h3-11H,1-2H3/p+1
Stored Murcko scaffold: c1ccc(cc1)[CH]C[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.

47203300#27632
26658575#28442
47198207#29838
24806886#32129
26658930#33610
22413489#41115
24807261#44230

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 3; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 5; CDK 2.12 · 2026-08-19
Topological polar surface area: 50.05 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 303.764 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.681; 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 · 24821223