Molecule card · MolClass #44836
24800309
24800309: 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
- 24800309Mitochondrial Fusion · compound_name
- MolClass ID
- 44836
- InChIKey
- OLQHSRPIFJCYPF-UHFFFAOYSA-N
- Canonical SMILES
- CCN(CCn1cccn1)Cc3c(nc2ccc(cn23)Cl)C(=O)N4CCCCCCC4
- Standard InChI
- InChI=1S/C23H31ClN6O/c1-2-27(15-16-29-14-8-11-25-29)18-20-22(26-21-10-9-19(24)17-30(20)21)23(31)28-12-6-4-3-5-7-13-28/h8-11,14,17H,2-7,12-13,15-16,18H2,1H3
- Stored Murcko scaffold
- n1cccn1CCNCc2c(nc3ccccn32)[CH]N4CCCCCCC4
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
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 58.67 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 442.986 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.543
- 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 · 24800309