Molecule card · MolClass #47203
7965533
7965533: 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
- 7965533Mitochondrial Fusion · compound_name
- MolClass ID
- 47203
- InChIKey
- LPJDSTWTFZZNSQ-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ncc(CO)c2C=C(C(=O)Oc12)S(=O)(=O)c3ccc(F)cc3
- Standard InChI
- InChI=1S/C16H12FNO5S/c1-9-15-13(10(8-19)7-18-9)6-14(16(20)23-15)24(21,22)12-4-2-11(17)3-5-12/h2-7,19H,8H2,1H3
- Stored Murcko scaffold
- n1ccc2C=C(Sc3ccccc3)[CH]Oc2c1
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 101.94 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 349.335 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.116
- 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 · 7965533