Molecule card · MolClass #39798
851366
851366: 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
- 851366Mitochondrial Fusion · compound_name
- MolClass ID
- 39798
- InChIKey
- RVSIGDHRHURXCQ-UHFFFAOYSA-N
- Canonical SMILES
- Nc1nonc1N2CCCCC2
- Standard InChI
- InChI=1S/C7H12N4O/c8-6-7(10-12-9-6)11-4-2-1-3-5-11/h1-5H2,(H2,8,9)
- Stored Murcko scaffold
- n1onc(c1)N2CCCCC2
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 68.18 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 168.197 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.03
- 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 · 851366