Molecule card · MolClass #49767
24784198
24784198: 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
- 24784198Mitochondrial Fusion · compound_name
- MolClass ID
- 49767
- InChIKey
- OIQDTDZIZWPLBP-WJDWOHSUSA-N
- Canonical SMILES
- NC(NN=C2CCSc3ccc1ccccc1c23)=S
- Standard InChI
- InChI=1S/C14H13N3S2/c15-14(18)17-16-11-7-8-19-12-6-5-9-3-1-2-4-10(9)13(11)12/h1-6H,7-8H2,(H3,15,17,18)/b16-11-
- Stored Murcko scaffold
- S1c2ccc3ccccc3c2[CH]CC1
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
- 107.8 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 287.406 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.079
- 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 · 24784198