Molecule card · MolClass #45179
14724486
14724486: 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
- 14724486Mitochondrial Fusion · compound_name
- MolClass ID
- 45179
- InChIKey
- LROIGNPBNCBPFI-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)C(=O)OC3=CSC(N3(C(=O)c2ccc(C)cc2))=S
- Standard InChI
- InChI=1S/C19H15NO3S2/c1-12-3-7-14(8-4-12)17(21)20-16(11-25-19(20)24)23-18(22)15-9-5-13(2)6-10-15/h3-11H,1-2H3
- Stored Murcko scaffold
- O([CH]c1ccccc1)C2=CS[CH]N2[CH]c3ccccc3
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 104 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 369.46 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.045
- 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 · 14724486