Molecule card · MolClass #50616
17506577
17506577: 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
- 17506577Mitochondrial Fusion · compound_name
- MolClass ID
- 50616
- InChIKey
- UGBVQJDTOZWKNQ-DHZHZOJOSA-N
- Canonical SMILES
- Cc1nc3CCCCc3(cc1C(=O)C=Cc2ccc(cc2)Br)
- Standard InChI
- InChI=1S/C19H18BrNO/c1-13-17(12-15-4-2-3-5-18(15)21-13)19(22)11-8-14-6-9-16(20)10-7-14/h6-12H,2-5H2,1H3/b11-8+
- Stored Murcko scaffold
- n1cc([CH]C=Cc2ccccc2)cc3c1CCCC3
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 29.96 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 356.257 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.627
- 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 · 17506577