Molecule card · MolClass #44390
14725302
14725302: 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
- 14725302Mitochondrial Fusion · compound_name
- MolClass ID
- 44390
- InChIKey
- GHRNNMQIPCVYQZ-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)CCOc1ccc(cc1)C(=O)C[N+]2(C)(CCOCC2)
- Standard InChI
- InChI=1S/C18H28NO3/c1-15(2)8-11-22-17-6-4-16(5-7-17)18(20)14-19(3)9-12-21-13-10-19/h4-7,15H,8-14H2,1-3H3/q+1
- Stored Murcko scaffold
- O1CC[NH+](C[CH]c2ccccc2)CC1
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 35.53 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 306.421 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.606
- 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 · 14725302