Molecule card · MolClass #49223
24818379
24818379: 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
- 24818379Mitochondrial Fusion · compound_name
- MolClass ID
- 49223
- InChIKey
- SKEPZBWZVMRFSJ-UHFFFAOYSA-N
- Canonical SMILES
- CCN(CC)c2nc(nc(c1ccccc1)c2(C#N))c3ccccn3
- Standard InChI
- InChI=1S/C20H19N5/c1-3-25(4-2)20-16(14-21)18(15-10-6-5-7-11-15)23-19(24-20)17-12-8-9-13-22-17/h5-13H,3-4H2,1-2H3
- Stored Murcko scaffold
- n1ccc(nc1-c2ncccc2)-c3ccccc3
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
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 65.7 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 329.399 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.13
- 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 · 24818379