Molecule card · MolClass #45143
24815815
24815815: 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
- 24815815Mitochondrial Fusion · compound_name
- MolClass ID
- 45143
- InChIKey
- WYHMCRVTEKEPHM-UHFFFAOYSA-N
- Canonical SMILES
- O=C(Cc1ccccc1)OC2=COC(=CC2(=O))CSc3ncccn3
- Standard InChI
- InChI=1S/C18H14N2O4S/c21-15-10-14(12-25-18-19-7-4-8-20-18)23-11-16(15)24-17(22)9-13-5-2-1-3-6-13/h1-8,10-11H,9,12H2
- Stored Murcko scaffold
- n1cccnc1SCC=2OC=C(O[CH]Cc3ccccc3)[CH]C2
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
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 103.68 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 354.382 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.955
- 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 · 24815815