Molecule card · MolClass #44073
22404743
22404743: 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
- 22404743Mitochondrial Fusion · compound_name
- MolClass ID
- 44073
- InChIKey
- GDBSZFRDWDEGQB-UHFFFAOYSA-N
- Canonical SMILES
- Cc1c(oc2CCCC3(c12)(SCCS3))C(=O)NCCCN4CCOCC4
- Standard InChI
- InChI=1S/C19H28N2O3S2/c1-14-16-15(4-2-5-19(16)25-12-13-26-19)24-17(14)18(22)20-6-3-7-21-8-10-23-11-9-21/h2-13H2,1H3,(H,20,22)
- Stored Murcko scaffold
- o1c([CH]NCCCN2CCOCC2)cc3c1CCCC43SCCS4
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
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 105.31 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 396.57 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.642
- 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 · 22404743