Molecule card · MolClass #49089
24826607
24826607: 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
- 24826607Mitochondrial Fusion · compound_name
- MolClass ID
- 49089
- InChIKey
- VSWGQYYTVBZMHR-UHFFFAOYSA-N
- Canonical SMILES
- O=C(CC2CC1CCC2(C1))Nc3nc(cs3)c4ccccn4
- Standard InChI
- InChI=1S/C17H19N3OS/c21-16(9-13-8-11-4-5-12(13)7-11)20-17-19-15(10-22-17)14-3-1-2-6-18-14/h1-3,6,10-13H,4-5,7-9H2,(H,19,20,21)
- Stored Murcko scaffold
- n1ccccc1-c2nc(sc2)N[CH]CC3CC4CCC3C4
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 83.12 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 313.419 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.753
- 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 · 24826607