Molecule card · MolClass #48204
7965508
7965508: 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
- 7965508Mitochondrial Fusion · compound_name
- MolClass ID
- 48204
- InChIKey
- BQBWBLNEWUYIBI-UHFFFAOYSA-N
- Canonical SMILES
- O=C(CN3C(=O)C=C(c1ccccc1)C=2CCCCC=23)N4CCCCCC4
- Standard InChI
- InChI=1S/C23H28N2O2/c26-22-16-20(18-10-4-3-5-11-18)19-12-6-7-13-21(19)25(22)17-23(27)24-14-8-1-2-9-15-24/h3-5,10-11,16H,1-2,6-9,12-15,17H2
- Stored Murcko scaffold
- c1ccc(cc1)C2=C[CH]N(C3=C2CCCC3)C[CH]N4CCCCCC4
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 40.62 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 364.481 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.217
- 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 · 7965508