Molecule card · MolClass #46832
24791997
24791997: 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
- 24791997Mitochondrial Fusion · compound_name
- MolClass ID
- 46832
- InChIKey
- KGNMHEIHURVWPS-GXDHUFHOSA-N
- Canonical SMILES
- O=C(O)c1cccc(c1)c4ccc(C=C2N=C(OC2(=O))c3cccs3)o4
- Standard InChI
- InChI=1S/C19H11NO5S/c21-18(22)12-4-1-3-11(9-12)15-7-6-13(24-15)10-14-19(23)25-17(20-14)16-5-2-8-26-16/h1-10H,(H,21,22)/b14-10+
- Stored Murcko scaffold
- N=1C([CH]OC1c2sccc2)=Cc3oc(cc3)-c4ccccc4
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 117.34 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 365.361 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.108
- 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 · 24791997