Molecule card · MolClass #43598
24798488
24798488: 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
- 24798488Mitochondrial Fusion · compound_name
- MolClass ID
- 43598
- InChIKey
- XNWXJEVHGHVBGO-UHFFFAOYSA-N
- Canonical SMILES
- CN(Cc2cccc1ccccc12)Cc3nc(no3)C4CC4
- Standard InChI
- InChI=1S/C18H19N3O/c1-21(12-17-19-18(20-22-17)14-9-10-14)11-15-7-4-6-13-5-2-3-8-16(13)15/h2-8,14H,9-12H2,1H3
- Stored Murcko scaffold
- n1oc(nc1C2CC2)CNCc3cccc4ccccc43
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 42.16 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 293.364 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.38
- 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 · 24798488