Molecule card · MolClass #38931
7969267
7969267: 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
- 7969267Mitochondrial Fusion · compound_name
- MolClass ID
- 38931
- InChIKey
- CELMWLWCJVTTDY-UHFFFAOYSA-N
- Canonical SMILES
- O=C(c1cnn2ccccc12)N(Cc3ccco3)C4CCCC4
- Standard InChI
- InChI=1S/C18H19N3O2/c22-18(16-12-19-21-10-4-3-9-17(16)21)20(14-6-1-2-7-14)13-15-8-5-11-23-15/h3-5,8-12,14H,1-2,6-7,13H2
- Stored Murcko scaffold
- n1cc([CH]N(Cc2occc2)C3CCCC3)c4ccccn14
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 50.75 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 309.363 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.711
- 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 · 7969267