Molecule card · MolClass #48948
24832898
24832898: 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
- 24832898Mitochondrial Fusion · compound_name
- MolClass ID
- 48948
- InChIKey
- HMLVXDCXWMVCJC-CXUHLZMHSA-N
- Canonical SMILES
- Cc3ccc(C=Nn1cc(nc1S)c2ccccc2)s3
- Standard InChI
- InChI=1S/C15H13N3S2/c1-11-7-8-13(20-11)9-16-18-10-14(17-15(18)19)12-5-3-2-4-6-12/h2-10H,1H3,(H,17,19)/b16-9+
- Stored Murcko scaffold
- n1cn(N=Cc2sccc2)cc1-c3ccccc3
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 97.22 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 299.417 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.455
- 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 · 24832898