Molecule card · MolClass #40835
24800673
24800673: 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
- 24800673Mitochondrial Fusion · compound_name
- MolClass ID
- 40835
- InChIKey
- RXYVFJZFXCTUGL-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)=CCN3CCN(Cc1ccc(cc1)N2CCNC2(=O))CC3(CCO)
- Standard InChI
- InChI=1S/C21H32N4O2/c1-17(2)7-10-24-13-12-23(16-20(24)8-14-26)15-18-3-5-19(6-4-18)25-11-9-22-21(25)27/h3-7,20,26H,8-16H2,1-2H3,(H,22,27)
- Stored Murcko scaffold
- c1cc(ccc1N2[CH]NCC2)CN3CCNCC3
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 59.05 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 372.505 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.129
- 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 · 24800673