Molecule card · MolClass #36943
14730725
14730725: 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
- 14730725Mitochondrial Fusion · compound_name
- MolClass ID
- 36943
- InChIKey
- BNHBFAPJZHNXTE-UHFFFAOYSA-N
- Canonical SMILES
- CCOc1ccc(cc1)c3cnc2CCCn23
- Standard InChI
- InChI=1S/C14H16N2O/c1-2-17-12-7-5-11(6-8-12)13-10-15-14-4-3-9-16(13)14/h5-8,10H,2-4,9H2,1H3
- Stored Murcko scaffold
- n1cc(-c2ccccc2)n3c1CCC3
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.
- 14742211#36131
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 27.05 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 228.29 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.771
- 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 · 14730725