Molecule card · MolClass #49517
24796255
24796255: 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
- 24796255Mitochondrial Fusion · compound_name
- MolClass ID
- 49517
- InChIKey
- PLFRNOOMLFOLHF-UHFFFAOYSA-N
- Canonical SMILES
- CC(=O)c1ccc(cc1)NC(Nc2ccc(c(c2)Cl)Br)=S
- Standard InChI
- InChI=1S/C15H12BrClN2OS/c1-9(20)10-2-4-11(5-3-10)18-15(21)19-12-6-7-13(16)14(17)8-12/h2-8H,1H3,(H2,18,19,21)
- Stored Murcko scaffold
- c1ccc(cc1)N[CH]Nc2ccccc2
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.
View all molecules with this scaffold →Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 73.22 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 383.692 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.554
- 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 · 24796255