Molecule card · MolClass #48979
24831033
24831033: 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
- 24831033Mitochondrial Fusion · compound_name
- MolClass ID
- 48979
- InChIKey
- QXOKSTGXTNUTRX-UHFFFAOYSA-N
- Canonical SMILES
- CNc1ccccc1C(C)(C)c2cc(no2)c3cccc(c3)Br
- Standard InChI
- InChI=1S/C19H19BrN2O/c1-19(2,15-9-4-5-10-16(15)21-3)18-12-17(22-23-18)13-7-6-8-14(20)11-13/h4-12,21H,1-3H3
- Stored Murcko scaffold
- n1oc(cc1-c2ccccc2)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.
- 24829931#49017
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 38.06 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 371.271 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.735
- 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 · 24831033