Molecule card · MolClass #47392
24794117
24794117: 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
- 24794117Mitochondrial Fusion · compound_name
- MolClass ID
- 47392
- InChIKey
- DFFFLZKFJSSEMR-UHFFFAOYSA-N
- Canonical SMILES
- O=C(NN2C(=O)C3C1C=CC(O1)C3(C2(=O)))c4cccc(c4)Br
- Standard InChI
- InChI=1S/C15H11BrN2O4/c16-8-3-1-2-7(6-8)13(19)17-18-14(20)11-9-4-5-10(22-9)12(11)15(18)21/h1-6,9-12H,(H,17,19)
- Stored Murcko scaffold
- O1C2C=CC1C3[CH]N([CH]C23)N[CH]c4ccccc4
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.
- 17387800#45573
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 75.71 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 363.163 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.111
- 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 · 24794117