Molecule card · MolClass #39573
4247999
4247999: 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
- 4247999Mitochondrial Fusion · compound_name
- MolClass ID
- 39573
- InChIKey
- SXHJFACKRQUEPO-KHPPLWFESA-N
- Canonical SMILES
- CCC2=CC(=CN(C)c1ccccc1)C(=O)S2
- Standard InChI
- InChI=1S/C14H15NOS/c1-3-13-9-11(14(16)17-13)10-15(2)12-7-5-4-6-8-12/h4-10H,3H2,1-2H3/b11-10-
- Stored Murcko scaffold
- S1C=CC([CH]1)=CNc2ccccc2
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
- 2
- 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
- 45.61 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 245.342 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.889
- 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 · 4247999