Molecule card · MolClass #35673
24798567
24798567: 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
- 24798567Mitochondrial Fusion · compound_name
- MolClass ID
- 35673
- InChIKey
- ZGQLYGQVIZPPOS-XERREHJYSA-N
- Canonical SMILES
- O=C4N(CC3CC(c1cccn1c2nccs2)N5CCCC345)C6CCCC6
- Standard InChI
- InChI=1S/C21H26N4OS/c26-19-21-8-4-11-25(21)18(13-15(21)14-24(19)16-5-1-2-6-16)17-7-3-10-23(17)20-22-9-12-27-20/h3,7,9-10,12,15-16,18H,1-2,4-6,8,11,13-14H2/t15-,18-,21-/m0/s1
- Stored Murcko scaffold
- n1ccsc1-n2cccc2C3N4CCCC54[CH]N(CC5C3)C6CCCC6
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 69.61 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 382.524 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.164
- 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 · 24798567