Molecule card · MolClass #47481
24800576
24800576: 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
- 24800576Mitochondrial Fusion · compound_name
- MolClass ID
- 47481
- InChIKey
- VVYGVCYMRWOJMO-UHFFFAOYSA-N
- Canonical SMILES
- OCCC2CN(CCN2(Cc1ccccc1))Cc3cccs3
- Standard InChI
- InChI=1S/C18H24N2OS/c21-11-8-17-14-19(15-18-7-4-12-22-18)9-10-20(17)13-16-5-2-1-3-6-16/h1-7,12,17,21H,8-11,13-15H2
- Stored Murcko scaffold
- s1cccc1CN2CCN(Cc3ccccc3)CC2
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.
- 24783756#43636
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
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 54.95 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 316.463 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.874
- 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 · 24800576