Molecule card · MolClass #50381
17515043
17515043: 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
- 17515043Mitochondrial Fusion · compound_name
- MolClass ID
- 50381
- InChIKey
- QUKYFVRLDWWACA-XDHOZWIPSA-N
- Canonical SMILES
- c1ccc(cc1)CCNC(NN=Cc2ccccc2Cl)=S
- Standard InChI
- InChI=1S/C16H16ClN3S/c17-15-9-5-4-8-14(15)12-19-20-16(21)18-11-10-13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H2,18,20,21)/b19-12+
- Stored Murcko scaffold
- N(=Cc1ccccc1)N[CH]NCCc2ccccc2
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
- 3
- 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
- 68.51 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 317.838 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.288
- 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 · 17515043