Molecule card · MolClass #48963
24832092
24832092: 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
- 24832092Mitochondrial Fusion · compound_name
- MolClass ID
- 48963
- InChIKey
- ZNYXHTQSHGCKPZ-UHFFFAOYSA-N
- Canonical SMILES
- Cc1nc(c2c(csc2(n1))c3cccs3)N4CCCCC4
- Standard InChI
- InChI=1S/C16H17N3S2/c1-11-17-15(19-7-3-2-4-8-19)14-12(10-21-16(14)18-11)13-6-5-9-20-13/h5-6,9-10H,2-4,7-8H2,1H3
- Stored Murcko scaffold
- n1cnc(c2c1scc2-c3sccc3)N4CCCCC4
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 85.5 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 315.459 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.749
- 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 · 24832092