Molecule card · MolClass #36175
848467
848467: 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
- 848467Mitochondrial Fusion · compound_name
- MolClass ID
- 36175
- InChIKey
- LPHTZKYBDDWSNH-UHFFFAOYSA-N
- Canonical SMILES
- CCN(CC)C1=NC(N2CCSC2(=N1))=S
- Standard InChI
- InChI=1S/C9H14N4S2/c1-3-12(4-2)7-10-8(14)13-5-6-15-9(13)11-7/h3-6H2,1-2H3
- Stored Murcko scaffold
- N1=CN=C2SCCN2[CH]1
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 88.59 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 242.367 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.542
- 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 · 848467