Molecule card · MolClass #37694
848364
848364: 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
- 848364Mitochondrial Fusion · compound_name
- MolClass ID
- 37694
- InChIKey
- YCWAYPKCHKOSSG-UHFFFAOYSA-N
- Canonical SMILES
- N#CC3=C(N)OC=1C(=O)C=C(CO)OC=1C3(c2ccsc2)
- Standard InChI
- InChI=1S/C14H10N2O4S/c15-4-9-11(7-1-2-21-6-7)13-12(20-14(9)16)10(18)3-8(5-17)19-13/h1-3,6,11,17H,5,16H2
- Stored Murcko scaffold
- O1C=CC(c2cscc2)C=3OC=C[CH]C13
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 133.81 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 302.307 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.127
- 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 · 848364