Molecule card · MolClass #44456
24810854
24810854: 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
- 24810854Mitochondrial Fusion · compound_name
- MolClass ID
- 44456
- InChIKey
- FSRRLWAYZNCQQH-UHFFFAOYSA-N
- Canonical SMILES
- N=C2N(Cc1ccccc1)C(=O)CS2
- Standard InChI
- InChI=1S/C10H10N2OS/c11-10-12(9(13)7-14-10)6-8-4-2-1-3-5-8/h1-5,11H,6-7H2
- Stored Murcko scaffold
- S1[CH]N([CH]C1)Cc2ccccc2
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.
- 7974856#35363
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 69.46 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 206.266 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.551
- 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 · 24810854