Molecule card · MolClass #38620
24798644
24798644: 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
- 24798644Mitochondrial Fusion · compound_name
- MolClass ID
- 38620
- InChIKey
- MKEIXYPKFBWTOL-UHFFFAOYSA-N
- Canonical SMILES
- Cc3ccc(CN2CCN(C1CCCC1)C(CCO)C2)s3
- Standard InChI
- InChI=1S/C17H28N2OS/c1-14-6-7-17(21-14)13-18-9-10-19(15-4-2-3-5-15)16(12-18)8-11-20/h6-7,15-16,20H,2-5,8-13H2,1H3
- Stored Murcko scaffold
- s1cccc1CN2CCN(CC2)C3CCCC3
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 54.95 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 308.484 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.274
- 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 · 24798644