Molecule card · MolClass #48956
24832189
24832189: 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
- 24832189Mitochondrial Fusion · compound_name
- MolClass ID
- 48956
- InChIKey
- KPHOJOSUCIJYIZ-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc3c(c1)nc(nc3(NCc2cccs2))c4cccs4
- Standard InChI
- InChI=1S/C17H13N3S2/c1-2-7-14-13(6-1)16(18-11-12-5-3-9-21-12)20-17(19-14)15-8-4-10-22-15/h1-10H,11H2,(H,18,19,20)
- Stored Murcko scaffold
- n1c(nc(NCc2sccc2)c3ccccc13)-c4sccc4
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 94.29 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 323.438 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.321
- 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 · 24832189