Molecule card · MolClass #36492
24837948
24837948: 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
- 24837948Mitochondrial Fusion · compound_name
- MolClass ID
- 36492
- InChIKey
- BXSHJRBAPNPSRA-UHFFFAOYSA-N
- Canonical SMILES
- O=S2(=O)(N=C1CCCCCN1C(N2)c3ccc(cc3)Cl)
- Standard InChI
- InChI=1S/C13H16ClN3O2S/c14-11-7-5-10(6-8-11)13-16-20(18,19)15-12-4-2-1-3-9-17(12)13/h5-8,13,16H,1-4,9H2
- Stored Murcko scaffold
- N=1SNC(c2ccccc2)N3C1CCCCC3
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.
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
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 70.15 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 313.805 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.007
- 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 · 24837948