Molecule card · MolClass #49597
24792087
24792087: 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
- 24792087Mitochondrial Fusion · compound_name
- MolClass ID
- 49597
- InChIKey
- ZZXJDEDVXITWAQ-UHFFFAOYSA-N
- Canonical SMILES
- CCOc1ccc(cc1)N2C(=O)CC(C2(=O))Sc4nnnn4(c3ccccc3)
- Standard InChI
- InChI=1S/C19H17N5O3S/c1-2-27-15-10-8-13(9-11-15)23-17(25)12-16(18(23)26)28-19-20-21-22-24(19)14-6-4-3-5-7-14/h3-11,16H,2,12H2,1H3
- Stored Murcko scaffold
- n1nc(SC2[CH]N([CH]C2)c3ccccc3)n(n1)-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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 115.51 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 395.437 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.841
- 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 · 24792087