Molecule card · MolClass #48910
24836465
24836465: 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
- 24836465Mitochondrial Fusion · compound_name
- MolClass ID
- 48910
- InChIKey
- NFJNQFKILZZSOM-UHFFFAOYSA-N
- Canonical SMILES
- O=C(Nc1ccc(cc1)N2CCCCC2)c3ccccn3
- Standard InChI
- InChI=1S/C17H19N3O/c21-17(16-6-2-3-11-18-16)19-14-7-9-15(10-8-14)20-12-4-1-5-13-20/h2-3,6-11H,1,4-5,12-13H2,(H,19,21)
- Stored Murcko scaffold
- n1ccccc1[CH]Nc2ccc(cc2)N3CCCCC3
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 45.23 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 281.353 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.023
- 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 · 24836465