Molecule card · MolClass #46306
22403216
22403216: 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
- 22403216Mitochondrial Fusion · compound_name
- MolClass ID
- 46306
- InChIKey
- RTJNPMJOXUCZAE-UHFFFAOYSA-N
- Canonical SMILES
- CNC(=O)CSc1nnc(SCCC(=O)O)s1
- Standard InChI
- InChI=1S/C8H11N3O3S3/c1-9-5(12)4-16-8-11-10-7(17-8)15-3-2-6(13)14/h2-4H2,1H3,(H,9,12)(H,13,14)
- Stored Murcko scaffold
- n1ncsc1
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.
View all molecules with this 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
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 171.02 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 293.39 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.805
- 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 · 22403216