Molecule card · MolClass #38572
24837451
24837451: 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
- 24837451Mitochondrial Fusion · compound_name
- MolClass ID
- 38572
- InChIKey
- FXFGYHRBMBDPGL-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc(cc1)CNC(=O)c4c(n(c2ccc(C)cc2)c3cccc[n+]34)[S-]
- Standard InChI
- InChI=1S/C23H21N3O2S/c1-16-6-10-18(11-7-16)26-20-5-3-4-14-25(20)21(23(26)29)22(27)24-15-17-8-12-19(28-2)13-9-17/h3-14H,15H2,1-2H3,(H-,24,27,29)
- Stored Murcko scaffold
- c1ccc(cc1)-n2cc([CH]NCc3ccccc3)[n+]4ccccc24
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.
- 24825956#28415
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 47.36 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 403.499 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 6.142
- 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 · 24837451