Molecule card · MolClass #47738

4255609

4255609: 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: 4255609Mitochondrial Fusion · compound_name
MolClass ID: 47738
InChIKey: VGWUXHLTKZAJRI-UHFFFAOYSA-N
Canonical SMILES: COC(=O)c1ccc2ccn(CC(=O)NC(C)C)c2(c1)
Standard InChI: InChI=1S/C15H18N2O3/c1-10(2)16-14(18)9-17-7-6-11-4-5-12(8-13(11)17)15(19)20-3/h4-8,10H,9H2,1-3H3,(H,16,18)
Stored Murcko scaffold: c1ccc2[nH]ccc2c1

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.

View all molecules with this scaffold →

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 4; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 6; CDK 2.12 · 2026-08-19
Topological polar surface area: 60.33 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 274.316 g/mol; CDK 2.12 · 2026-08-19
XLogP: 2.47; 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 · 4255609