Molecule card · MolClass #47992
862423
862423: 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
- 862423Mitochondrial Fusion · compound_name
- MolClass ID
- 47992
- InChIKey
- BNZBFVGKGGBLAA-UHFFFAOYSA-N
- Canonical SMILES
- O=C1CCCc2nc(ncc12)N4CCc3ccccc34
- Standard InChI
- InChI=1S/C16H15N3O/c20-15-7-3-5-13-12(15)10-17-16(18-13)19-9-8-11-4-1-2-6-14(11)19/h1-2,4,6,10H,3,5,7-9H2
- Stored Murcko scaffold
- n1cc2[CH]CCCc2nc1N3c4ccccc4CC3
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 46.09 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 265.31 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.198
- 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 · 862423