Molecule card · MolClass #38321
24811181
24811181: 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
- 24811181Mitochondrial Fusion · compound_name
- MolClass ID
- 38321
- InChIKey
- VQNWAVUXHMIYNU-UHFFFAOYSA-N
- Canonical SMILES
- O=[N+]([O-])C(C(=C(Cl)Cl)N1CCCCC1)=C2SCCS2
- Standard InChI
- InChI=1S/C11H14Cl2N2O2S2/c12-10(13)8(14-4-2-1-3-5-14)9(15(16)17)11-18-6-7-19-11/h1-7H2
- Stored Murcko scaffold
- S1C(SCC1)=C[CH]N2CCCCC2
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
- 1
- 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
- 96.98 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 341.28 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.796
- 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 · 24811181