Molecule card · MolClass #43353
858103
858103: 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
- 858103Mitochondrial Fusion · compound_name
- MolClass ID
- 43353
- InChIKey
- OEORBNXVHHAFKX-UHFFFAOYSA-N
- Canonical SMILES
- Cc4ccccc4(CN3c1ccccc1N2CCN=C23)
- Standard InChI
- InChI=1S/C17H17N3/c1-13-6-2-3-7-14(13)12-20-16-9-5-4-8-15(16)19-11-10-18-17(19)20/h2-9H,10-12H2,1H3
- Stored Murcko scaffold
- N1=C2N(c3ccccc3N2CC1)Cc4ccccc4
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.
- 22413537#46043
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 18.84 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 263.338 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.495
- 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 · 858103