Molecule card · MolClass #46803
24835616
24835616: 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
- 24835616Mitochondrial Fusion · compound_name
- MolClass ID
- 46803
- InChIKey
- WZFFCMDHFPACQJ-UHFFFAOYSA-N
- Canonical SMILES
- COc3ccccc3(NC(=O)Cc2noc(CSc1nnc(C)n1(C))n2)
- Standard InChI
- InChI=1S/C16H18N6O3S/c1-10-19-20-16(22(10)2)26-9-15-18-13(21-25-15)8-14(23)17-11-6-4-5-7-12(11)24-3/h4-7H,8-9H2,1-3H3,(H,17,23)
- Stored Murcko scaffold
- n1nc(SCc2nc(no2)C[CH]Nc3ccccc3)[nH]c1
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 133.26 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 374.419 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.683
- 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 · 24835616