Molecule card · MolClass #47874
863200
863200: 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
- 863200Mitochondrial Fusion · compound_name
- MolClass ID
- 47874
- InChIKey
- RFCGIWCZDAEYGC-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)COC(=O)N2CCCC2(C(=O)Nc1nccs1)
- Standard InChI
- InChI=1S/C13H19N3O3S/c1-9(2)8-19-13(18)16-6-3-4-10(16)11(17)15-12-14-5-7-20-12/h5,7,9-10H,3-4,6,8H2,1-2H3,(H,14,15,17)
- Stored Murcko scaffold
- n1ccsc1N[CH]C2[N]CCC2
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 99.77 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 297.375 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.02
- 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 · 863200