Molecule card · MolClass #36856
24785685
24785685: 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
- 24785685Mitochondrial Fusion · compound_name
- MolClass ID
- 36856
- InChIKey
- ZPLZCDCUJLVZAX-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)CN2CCN(CC2(CCO))Cc3cccn3c4nccs4
- Standard InChI
- InChI=1S/C22H28N4OS/c1-18-4-6-19(7-5-18)15-25-12-11-24(16-20(25)8-13-27)17-21-3-2-10-26(21)22-23-9-14-28-22/h2-7,9-10,14,20,27H,8,11-13,15-17H2,1H3
- Stored Murcko scaffold
- n1ccsc1-n2cccc2CN3CCN(Cc4ccccc4)CC3
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
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 72.77 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 396.551 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.498
- 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 · 24785685