Molecule card · MolClass #46523
22416811
22416811: 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
- 22416811Mitochondrial Fusion · compound_name
- MolClass ID
- 46523
- InChIKey
- KCXPQKDQAVQMLN-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cccc(c1(C))N2C(=O)CSC2(=N)
- Standard InChI
- InChI=1S/C11H12N2OS/c1-7-4-3-5-9(8(7)2)13-10(14)6-15-11(13)12/h3-5,12H,6H2,1-2H3
- Stored Murcko scaffold
- S1[CH]N([CH]C1)c2ccccc2
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 69.46 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 220.292 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.07
- 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 · 22416811