Molecule card · MolClass #49532
24794884
24794884: 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
- 24794884Mitochondrial Fusion · compound_name
- MolClass ID
- 49532
- InChIKey
- UIQFBSZKGJMVGL-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cccc2c(cc(nc12)c3cccc(c3)Br)C(=O)N4CCN(CC4)C(=O)c5ccco5
- Standard InChI
- InChI=1S/C26H22BrN3O3/c1-17-5-2-8-20-21(16-22(28-24(17)20)18-6-3-7-19(27)15-18)25(31)29-10-12-30(13-11-29)26(32)23-9-4-14-33-23/h2-9,14-16H,10-13H2,1H3
- Stored Murcko scaffold
- n1c2ccccc2c(cc1-c3ccccc3)[CH]N4CCN([CH]c5occc5)CC4
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 66.65 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 504.376 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.574
- 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 · 24794884