Molecule card · MolClass #49245
24816166
24816166: 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
- 24816166Mitochondrial Fusion · compound_name
- MolClass ID
- 49245
- InChIKey
- LCPLYSKJFSJOKV-UHFFFAOYSA-N
- Canonical SMILES
- CCCCNC(N2CCn3cccc3(C2(c1ccc(F)cc1)))=S
- Standard InChI
- InChI=1S/C18H22FN3S/c1-2-3-10-20-18(23)22-13-12-21-11-4-5-16(21)17(22)14-6-8-15(19)9-7-14/h4-9,11,17H,2-3,10,12-13H2,1H3,(H,20,23)
- Stored Murcko scaffold
- [N]1CCn2cccc2C1c3ccccc3
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.
- 24814236#26765
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- 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
- 52.29 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 331.453 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.669
- 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 · 24816166