Molecule card · MolClass #46296
24802624
24802624: 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
- 24802624Mitochondrial Fusion · compound_name
- MolClass ID
- 46296
- InChIKey
- FLICSFLKDCECGU-UTCJRWHESA-N
- Canonical SMILES
- CCc1c(cc(C=C(C#N)C(N)=S)s1)[N+](=O)[O-]
- Standard InChI
- InChI=1S/C10H9N3O2S2/c1-2-9-8(13(14)15)4-7(17-9)3-6(5-11)10(12)16/h3-4H,2H2,1H3,(H2,12,16)/b6-3-
- Stored Murcko scaffold
- s1cccc1
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 153.28 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 267.33 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.773
- 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 · 24802624