Molecule card · MolClass #40923
22412566
22412566: 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
- 22412566Mitochondrial Fusion · compound_name
- MolClass ID
- 40923
- InChIKey
- HIYOQJJOAKPQFU-UHFFFAOYSA-N
- Canonical SMILES
- O=C3NC(=O)SC13(COC(OC1)c2ccncc2)
- Standard InChI
- InChI=1S/C11H10N2O4S/c14-9-11(18-10(15)13-9)5-16-8(17-6-11)7-1-3-12-4-2-7/h1-4,8H,5-6H2,(H,13,14,15)
- Stored Murcko scaffold
- n1ccc(cc1)C2OCC3(S[CH]N[CH]3)CO2
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
- 6
- 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
- 102.82 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 266.275 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -0.951
- 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 · 22412566