Molecule card · MolClass #51792
14728871
14728871: 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
- 14728871Mitochondrial Fusion · compound_name
- MolClass ID
- 51792
- InChIKey
- LBKVWLLUUVVCQF-UHFFFAOYSA-N
- Canonical SMILES
- O=C(c1ccc(o1)Br)N(Cc2ccccc2)Cc3ccccc3
- Standard InChI
- InChI=1S/C19H16BrNO2/c20-18-12-11-17(23-18)19(22)21(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-12H,13-14H2
- Stored Murcko scaffold
- o1cccc1[CH]N(Cc2ccccc2)Cc3ccccc3
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 33.45 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 370.24 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.497
- 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 · 14728871