Molecule card · MolClass #35611
24823161
24823161: 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
- 24823161Mitochondrial Fusion · compound_name
- MolClass ID
- 35611
- InChIKey
- PWPSDEPXHIBYJL-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cc(C)c[n+](c1)C=2[N-]C(=O)SC=2(C=NNC(N)=S)
- Standard InChI
- InChI=1S/C12H13N5OS2/c1-7-3-8(2)6-17(5-7)10-9(20-12(18)15-10)4-14-16-11(13)19/h3-6H,1-2H3,(H3-,13,14,15,16,18,19)
- Stored Murcko scaffold
- [N-]1[CH]SC=C1[n+]2ccccc2
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 128.75 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 307.397 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.877
- 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 · 24823161