Molecule card · MolClass #36052
17508419
17508419: 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
- 17508419Mitochondrial Fusion · compound_name
- MolClass ID
- 36052
- InChIKey
- KVFKCSNCZVQICP-UHFFFAOYSA-N
- Canonical SMILES
- O=[N+]([O-])c1ccc2OC3(CCCCC3(=Cc2(c1)))N4CCCC4
- Standard InChI
- InChI=1S/C17H20N2O3/c20-19(21)15-6-7-16-13(12-15)11-14-5-1-2-8-17(14,22-16)18-9-3-4-10-18/h6-7,11-12H,1-5,8-10H2
- Stored Murcko scaffold
- O1c2ccccc2C=C3CCCCC13N4CCCC4
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
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 55.61 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 300.353 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.161
- 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 · 17508419