Molecule card · MolClass #48902
24837577
24837577: 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
- 24837577Mitochondrial Fusion · compound_name
- MolClass ID
- 48902
- InChIKey
- UNXWHEKNJQKQJW-UHFFFAOYSA-N
- Canonical SMILES
- CC1CCN(CC1)c4nnc(c2ccc(C)c(C)c2)c3ccccc34
- Standard InChI
- InChI=1S/C22H25N3/c1-15-10-12-25(13-11-15)22-20-7-5-4-6-19(20)21(23-24-22)18-9-8-16(2)17(3)14-18/h4-9,14-15H,10-13H2,1-3H3
- Stored Murcko scaffold
- n1nc(c2ccccc2c1-c3ccccc3)N4CCCCC4
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 29.02 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 331.455 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 6.538
- 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 · 24837577