Molecule card · MolClass #52411
858220
858220: 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
- 858220Mitochondrial Fusion · compound_name
- MolClass ID
- 52411
- InChIKey
- OYFMNTJVLCVUTF-UHFFFAOYSA-N
- Canonical SMILES
- CCc3nnc(NC(=O)c1cccc(n1)C(=O)Nc2nnc(CC)s2)s3
- Standard InChI
- InChI=1S/C15H15N7O2S2/c1-3-10-19-21-14(25-10)17-12(23)8-6-5-7-9(16-8)13(24)18-15-22-20-11(4-2)26-15/h5-7H,3-4H2,1-2H3,(H,17,21,23)(H,18,22,24)
- Stored Murcko scaffold
- n1nc(sc1)N[CH]c2nc(ccc2)[CH]Nc3nncs3
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
- 9
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 179.13 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 389.458 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.416
- 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 · 858220