Molecule card · MolClass #36392
22411976
22411976: 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
- 22411976Mitochondrial Fusion · compound_name
- MolClass ID
- 36392
- InChIKey
- RHNGUVLVJDGYDM-UHFFFAOYSA-N
- Canonical SMILES
- OC=2OC(Cc1ccccn1)C(=O)C=2C3=NCCCCN3
- Standard InChI
- InChI=1S/C15H17N3O3/c19-13-11(9-10-5-1-2-6-16-10)21-15(20)12(13)14-17-7-3-4-8-18-14/h1-2,5-6,11,20H,3-4,7-9H2,(H,17,18)
- Stored Murcko scaffold
- n1ccccc1CC2OC=C([CH]2)C3=NCCCCN3
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 83.81 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 287.314 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.113
- 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 · 22411976