Molecule card · MolClass #42759
24799677
24799677: 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
- 24799677Mitochondrial Fusion · compound_name
- MolClass ID
- 42759
- InChIKey
- AJCHBOPBFNXIGM-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)CN2CCN(CC2(CCO))C3CCOCC3
- Standard InChI
- InChI=1S/C19H30N2O2/c1-16-2-4-17(5-3-16)14-20-9-10-21(15-19(20)6-11-22)18-7-12-23-13-8-18/h2-5,18-19,22H,6-15H2,1H3
- Stored Murcko scaffold
- O1CCC(N2CCN(Cc3ccccc3)CC2)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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 35.94 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 318.454 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.892
- 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 · 24799677