Molecule card · MolClass #48582
3713321
3713321: 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
- 3713321Mitochondrial Fusion · compound_name
- MolClass ID
- 48582
- InChIKey
- GOMNBGPDEVPPKK-UHFFFAOYSA-N
- Canonical SMILES
- Cc3nnc(SCc1cc(O)n2ncnc2(n1))s3
- Standard InChI
- InChI=1S/C9H8N6OS2/c1-5-13-14-9(18-5)17-3-6-2-7(16)15-8(12-6)10-4-11-15/h2,4,16H,3H2,1H3
- Stored Murcko scaffold
- n1nc(sc1)SCc2nc3ncnn3cc2
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 142.63 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 280.332 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.423
- 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 · 3713321