Molecule card · MolClass #41967
24786056
24786056: 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
- 24786056Mitochondrial Fusion · compound_name
- MolClass ID
- 41967
- InChIKey
- GHVRBCSTTHRDKE-QPJJXVBHSA-N
- Canonical SMILES
- ONC2=NC(=O)C(=Cc1cccnc1)S2
- Standard InChI
- InChI=1S/C9H7N3O2S/c13-8-7(15-9(11-8)12-14)4-6-2-1-3-10-5-6/h1-5,14H,(H,11,12,13)/b7-4+
- Stored Murcko scaffold
- N1=CSC([CH]1)=Cc2cnccc2
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 99.88 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 221.237 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.594
- 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 · 24786056