Molecule card · MolClass #52331
862990
862990: 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
- 862990Mitochondrial Fusion · compound_name
- MolClass ID
- 52331
- InChIKey
- YIOOOLUQDWRZNP-UHFFFAOYSA-N
- Canonical SMILES
- O=C(CCc1ccccc1)Nc2ncc3C(=O)CCCc3(n2)
- Standard InChI
- InChI=1S/C17H17N3O2/c21-15-8-4-7-14-13(15)11-18-17(19-14)20-16(22)10-9-12-5-2-1-3-6-12/h1-3,5-6,11H,4,7-10H2,(H,18,19,20,22)
- Stored Murcko scaffold
- n1cc2[CH]CCCc2nc1N[CH]CCc3ccccc3
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 71.95 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 295.336 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.409
- 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 · 862990