Molecule card · MolClass #45185
865035
865035: 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
- 865035Mitochondrial Fusion · compound_name
- MolClass ID
- 45185
- InChIKey
- FBGZLHQQUBFFOJ-UHFFFAOYSA-N
- Canonical SMILES
- CN2CC4(Cc1c3ccccc3(ccc12))(C(=O)N(C)C(=O)N(C)C4(=O))
- Standard InChI
- InChI=1S/C19H19N3O3/c1-20-11-19(16(23)21(2)18(25)22(3)17(19)24)10-14-13-7-5-4-6-12(13)8-9-15(14)20/h4-9H,10-11H2,1-3H3
- Stored Murcko scaffold
- [N]1[CH][N][CH]C2([CH]1)CNc3ccc4ccccc4c3C2
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 60.93 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 337.373 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.986
- 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 · 865035