Molecule card · MolClass #48206
847859
847859: 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
- 847859Mitochondrial Fusion · compound_name
- MolClass ID
- 48206
- InChIKey
- MMIFSIWKVQVSSH-UHFFFAOYSA-N
- Canonical SMILES
- NC(=O)CN3C1CCC3(CC(C1)NC(=O)C2CC2)
- Standard InChI
- InChI=1S/C13H21N3O2/c14-12(17)7-16-10-3-4-11(16)6-9(5-10)15-13(18)8-1-2-8/h8-11H,1-7H2,(H2,14,17)(H,15,18)
- Stored Murcko scaffold
- [CH](NC1CC2NC(CC2)C1)C3CC3
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 75.43 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 251.325 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -0.454
- 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 · 847859