Molecule card · MolClass #44978
24800355
24800355: 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
- 24800355Mitochondrial Fusion · compound_name
- MolClass ID
- 44978
- InChIKey
- RHZRMLCKQZTBMP-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)C1(CCN(CC1)Cc2cccc3nccnc23)Cc4ccccc4
- Standard InChI
- InChI=1S/C24H27N3O2/c1-2-29-23(28)24(17-19-7-4-3-5-8-19)11-15-27(16-12-24)18-20-9-6-10-21-22(20)26-14-13-25-21/h3-10,13-14H,2,11-12,15-18H2,1H3
- Stored Murcko scaffold
- n1ccnc2c1cccc2CN3CCC(Cc4ccccc4)CC3
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
- 5
- 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
- 55.32 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 389.491 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.019
- 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 · 24800355