Molecule card · MolClass #42924
24819400
24819400: 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
- 24819400Mitochondrial Fusion · compound_name
- MolClass ID
- 42924
- InChIKey
- FJXJXEFRRZNOCL-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)C2C(=O)NC(=NC2(c1cccc(c1)Br))c3ccccc3
- Standard InChI
- InChI=1S/C19H17BrN2O3/c1-2-25-19(24)15-16(13-9-6-10-14(20)11-13)21-17(22-18(15)23)12-7-4-3-5-8-12/h3-11,15-16H,2H2,1H3,(H,21,22,23)
- Stored Murcko scaffold
- N1=C(N[CH]CC1c2ccccc2)c3ccccc3
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 67.76 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 401.254 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.833
- 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 · 24819400