Molecule card · MolClass #39594
856906
856906: 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
- 856906Mitochondrial Fusion · compound_name
- MolClass ID
- 39594
- InChIKey
- GMAVNMHUPHMOCL-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)C3(O)(CCN2CCCCC23)
- Standard InChI
- InChI=1S/C15H21NO/c1-12-5-7-13(8-6-12)15(17)9-11-16-10-3-2-4-14(15)16/h5-8,14,17H,2-4,9-11H2,1H3
- Stored Murcko scaffold
- c1ccc(cc1)C2CCN3CCCCC32
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 23.47 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 231.334 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.34
- 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 · 856906