Molecule card · MolClass #38385
24782317
24782317: 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
- 24782317Mitochondrial Fusion · compound_name
- MolClass ID
- 38385
- InChIKey
- LWBSGVUGGMGODQ-UHFFFAOYSA-N
- Canonical SMILES
- OCCC#Cc1ccc(cc1)CN3CCN(Cc2ccsc2)C(CCO)C3
- Standard InChI
- InChI=1S/C22H28N2O2S/c25-12-2-1-3-19-4-6-20(7-5-19)15-23-10-11-24(22(17-23)8-13-26)16-21-9-14-27-18-21/h4-7,9,14,18,22,25-26H,2,8,10-13,15-17H2
- Stored Murcko scaffold
- s1ccc(c1)CN2CCN(Cc3ccccc3)CC2
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 75.18 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 384.537 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.211
- 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 · 24782317