Molecule card · MolClass #41389
17402316
17402316: 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
- 17402316Mitochondrial Fusion · compound_name
- MolClass ID
- 41389
- InChIKey
- OMXHLELEEVZALR-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cccc(n1)n2cnc(c2)C(=O)NC3CCCCCC3
- Standard InChI
- InChI=1S/C17H22N4O/c1-13-7-6-10-16(19-13)21-11-15(18-12-21)17(22)20-14-8-4-2-3-5-9-14/h6-7,10-12,14H,2-5,8-9H2,1H3,(H,20,22)
- Stored Murcko scaffold
- n1ccccc1-n2cnc([CH]NC3CCCCCC3)c2
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 59.81 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 298.383 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.749
- 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 · 17402316