Molecule card · MolClass #37575
24824342
24824342: 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
- 24824342Mitochondrial Fusion · compound_name
- MolClass ID
- 37575
- InChIKey
- VFCZVCMCVRHJPB-UHFFFAOYSA-N
- Canonical SMILES
- Nc1c(cnc2ncnn12)c3ccsc3
- Standard InChI
- InChI=1S/C9H7N5S/c10-8-7(6-1-2-15-4-6)3-11-9-12-5-13-14(8)9/h1-5H,10H2
- Stored Murcko scaffold
- n1cnn2cc(cnc12)-c3cscc3
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.
- 24824370#29819
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 97.34 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 217.252 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.888
- 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 · 24824342