Molecule card · MolClass #49082
24825499
24825499: 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
- 24825499Mitochondrial Fusion · compound_name
- MolClass ID
- 49082
- InChIKey
- LIKFRIUWQBOVLB-UHFFFAOYSA-N
- Canonical SMILES
- O=C(NC(Nc1ccc(cn1)Cl)=S)C34(CC2CC(CC(C2)C3)C4)
- Standard InChI
- InChI=1S/C17H20ClN3OS/c18-13-1-2-14(19-9-13)20-16(23)21-15(22)17-6-10-3-11(7-17)5-12(4-10)8-17/h1-2,9-12H,3-8H2,(H2,19,20,21,22,23)
- Stored Murcko scaffold
- n1ccccc1N[CH]N[CH]C23CC4CC(CC(C4)C2)C3
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 86.11 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 349.88 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.784
- 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 · 24825499