Molecule card · MolClass #46870
24813074
24813074: 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
- 24813074Mitochondrial Fusion · compound_name
- MolClass ID
- 46870
- InChIKey
- SBXVFSLHPVHPCJ-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc(cc1(OC))C3Nc2ccccc2C(=O)N3(NS(C)(=O)=O)
- Standard InChI
- InChI=1S/C17H19N3O5S/c1-24-14-9-8-11(10-15(14)25-2)16-18-13-7-5-4-6-12(13)17(21)20(16)19-26(3,22)23/h4-10,16,18-19H,1-3H3
- Stored Murcko scaffold
- [N]1[CH]c2ccccc2NC1c3ccccc3
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 105.35 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 377.417 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.668
- 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 · 24813074