Molecule card · MolClass #47971
24808028
24808028: 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
- 24808028Mitochondrial Fusion · compound_name
- MolClass ID
- 47971
- InChIKey
- GKZHVVPOPMZVNT-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)Oc1ccc(cc1)CN2C(=O)C=C(C)NC2=S
- Standard InChI
- InChI=1S/C15H18N2O2S/c1-10(2)19-13-6-4-12(5-7-13)9-17-14(18)8-11(3)16-15(17)20/h4-8,10H,9H2,1-3H3,(H,16,20)
- Stored Murcko scaffold
- c1ccc(cc1)CN2[CH]C=CN[CH]2
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.
- 857945#38842
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 73.66 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 290.382 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.903
- 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 · 24808028