Molecule card · MolClass #50217
22403356
22403356: 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
- 22403356Mitochondrial Fusion · compound_name
- MolClass ID
- 50217
- InChIKey
- SRYZLHOQNKMAKS-UHFFFAOYSA-N
- Canonical SMILES
- CC2(CCc1ccccc1)(NC(N(N2)c3ccc(cc3)Cl)=S)
- Standard InChI
- InChI=1S/C17H18ClN3S/c1-17(12-11-13-5-3-2-4-6-13)19-16(22)21(20-17)15-9-7-14(18)8-10-15/h2-10,20H,11-12H2,1H3,(H,19,22)
- Stored Murcko scaffold
- c1ccc(cc1)N2[CH]NC(N2)CCc3ccccc3
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 59.39 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 331.865 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.865
- 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 · 22403356