Molecule card · MolClass #47607
24790111
24790111: 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
- 24790111Mitochondrial Fusion · compound_name
- MolClass ID
- 47607
- InChIKey
- AJDJFWFYAFPYBY-UHFFFAOYSA-N
- Canonical SMILES
- CN(NC(=O)c1ccccc1)C3=NS(=O)(=O)c2ccccc23
- Standard InChI
- InChI=1S/C15H13N3O3S/c1-18(16-15(19)11-7-3-2-4-8-11)14-12-9-5-6-10-13(12)22(20,21)17-14/h2-10H,1H3,(H,16,19)
- Stored Murcko scaffold
- n1sc2ccccc2c1NN[CH]c3ccccc3
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 87.22 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 315.349 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.194
- 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 · 24790111