Molecule card · MolClass #44633
24826541
24826541: 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
- 24826541Mitochondrial Fusion · compound_name
- MolClass ID
- 44633
- InChIKey
- WGXOMZOBLHHMHZ-UHFFFAOYSA-N
- Canonical SMILES
- C1=CSC2=NC(=NC(N12)=S)C45(CC3CC(CC(C3)C4)C5)
- Standard InChI
- InChI=1S/C15H17N3S2/c19-13-16-12(17-14-18(13)1-2-20-14)15-6-9-3-10(7-15)5-11(4-9)8-15/h1-2,9-11H,3-8H2
- Stored Murcko scaffold
- N=1[CH]N2C=CSC2=NC1C34CC5CC(CC(C5)C3)C4
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 85.35 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 303.448 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.758
- 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 · 24826541