Molecule card · MolClass #51997
7972083
7972083: 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
- 7972083Mitochondrial Fusion · compound_name
- MolClass ID
- 51997
- InChIKey
- ONSXFINLHKAENC-UHFFFAOYSA-N
- Canonical SMILES
- CCCCC1CCC(CC1)c2nc(no2)c3cccnc3
- Standard InChI
- InChI=1S/C17H23N3O/c1-2-3-5-13-7-9-14(10-8-13)17-19-16(20-21-17)15-6-4-11-18-12-15/h4,6,11-14H,2-3,5,7-10H2,1H3
- Stored Murcko scaffold
- n1cccc(c1)-c2noc(n2)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
- 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
- 51.81 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 285.385 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.263
- 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 · 7972083