Molecule card · MolClass #49552
24793954
24793954: 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
- 24793954Mitochondrial Fusion · compound_name
- MolClass ID
- 49552
- InChIKey
- ZUYVUBWXXGSUOB-UHFFFAOYSA-N
- Canonical SMILES
- O=C(CC23(CC1CC(CC(C1)C2)C3))NC(NCc4ccco4)=S
- Standard InChI
- InChI=1S/C18H24N2O2S/c21-16(20-17(23)19-11-15-2-1-3-22-15)10-18-7-12-4-13(8-18)6-14(5-12)9-18/h1-3,12-14H,4-11H2,(H2,19,20,21,23)
- Stored Murcko scaffold
- o1cccc1CN[CH]N[CH]CC23CC4CC(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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 86.36 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 332.462 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.287
- 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 · 24793954