Molecule card · MolClass #49325
24827993
24827993: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 24827993Mitochondrial Fusion · compound_name
- MolClass ID
- 49325
- InChIKey
- LJWZJNNMHKKEJS-UHFFFAOYSA-N
- Canonical SMILES
- CCOc1ccc(cc1)NC(NC(C)CCc2ccccc2)=S
- Standard InChI
- InChI=1S/C19H24N2OS/c1-3-22-18-13-11-17(12-14-18)21-19(23)20-15(2)9-10-16-7-5-4-6-8-16/h4-8,11-15H,3,9-10H2,1-2H3,(H2,20,21,23)
- Stored Murcko scaffold
- c1ccc(cc1)N[CH]NCCCc2ccccc2
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 9
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 65.38 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 328.473 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.715
- 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 · 24827993