Molecule card · MolClass #52018
7969496
7969496: 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
- 7969496Mitochondrial Fusion · compound_name
- MolClass ID
- 52018
- InChIKey
- SLOLPZZNZXCROK-UHFFFAOYSA-N
- Canonical SMILES
- O=C(CSCC(=O)N1CCCCC1)Nc2nc(cs2)c3ccc(Cl)s3
- Standard InChI
- InChI=1S/C16H18ClN3O2S3/c17-13-5-4-12(25-13)11-8-24-16(18-11)19-14(21)9-23-10-15(22)20-6-2-1-3-7-20/h4-5,8H,1-3,6-7,9-10H2,(H,18,19,21)
- Stored Murcko scaffold
- n1c(scc1-c2sccc2)N[CH]CSC[CH]N3CCCCC3
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 144.08 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 415.985 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.842
- 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 · 7969496