Molecule card · MolClass #46608
22411959
22411959: 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
- 22411959Mitochondrial Fusion · compound_name
- MolClass ID
- 46608
- InChIKey
- VTXLZSURMFOLII-UHFFFAOYSA-N
- Canonical SMILES
- Cc2ccc3OC1(CCCC1)CC(c3(c2))SCC(=O)NCCc4ccccc4
- Standard InChI
- InChI=1S/C24H29NO2S/c1-18-9-10-21-20(15-18)22(16-24(27-21)12-5-6-13-24)28-17-23(26)25-14-11-19-7-3-2-4-8-19/h2-4,7-10,15,22H,5-6,11-14,16-17H2,1H3,(H,25,26)
- Stored Murcko scaffold
- O1c2ccccc2C(SC[CH]NCCc3ccccc3)CC14CCCC4
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 63.63 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 395.56 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.154
- 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 · 22411959