Molecule card · MolClass #41368
24785152
24785152: 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
- 24785152Mitochondrial Fusion · compound_name
- MolClass ID
- 41368
- InChIKey
- PKOLGWMPCNWXLU-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccsc1c4nc(CN(C)C(C2CC2)C3CC3)c(C)o4
- Standard InChI
- InChI=1S/C18H24N2OS/c1-11-8-9-22-17(11)18-19-15(12(2)21-18)10-20(3)16(13-4-5-13)14-6-7-14/h8-9,13-14,16H,4-7,10H2,1-3H3
- Stored Murcko scaffold
- n1c(occ1CNC(C2CC2)C3CC3)-c4sccc4
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 57.51 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 316.463 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.872
- 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 · 24785152