Molecule card · MolClass #47530
24801145
24801145: 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
- 24801145Mitochondrial Fusion · compound_name
- MolClass ID
- 47530
- InChIKey
- UDKAZJVFNVBDCH-UHFFFAOYSA-N
- Canonical SMILES
- O=C(Cc1ccccc1)NNC2=NS(=O)(=O)c3ccccc23
- Standard InChI
- InChI=1S/C15H13N3O3S/c19-14(10-11-6-2-1-3-7-11)16-17-15-12-8-4-5-9-13(12)22(20,21)18-15/h1-9H,10H2,(H,16,19)(H,17,18)
- Stored Murcko scaffold
- n1sc2ccccc2c1NN[CH]Cc3ccccc3
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 96.01 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 315.349 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.601
- 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 · 24801145