Molecule card · MolClass #50361
17515027
17515027: 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
- 17515027Mitochondrial Fusion · compound_name
- MolClass ID
- 50361
- InChIKey
- QPZYSNFAZACBLS-UHFFFAOYSA-N
- Canonical SMILES
- O=C(CSCC(=O)N1CCCCC1)Nc4nc(c2ccccc2)c(c3ccccc3)s4
- Standard InChI
- InChI=1S/C24H25N3O2S2/c28-20(16-30-17-21(29)27-14-8-3-9-15-27)25-24-26-22(18-10-4-1-5-11-18)23(31-24)19-12-6-2-7-13-19/h1-2,4-7,10-13H,3,8-9,14-17H2,(H,25,26,28)
- Stored Murcko scaffold
- n1c(sc(-c2ccccc2)c1-c3ccccc3)N[CH]CSC[CH]N4CCCCC4
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
- 9
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 115.84 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 451.607 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.098
- 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 · 17515027