Molecule card · MolClass #40231
7974885
7974885: 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
- 7974885Mitochondrial Fusion · compound_name
- MolClass ID
- 40231
- InChIKey
- NIZATNKAWHZHSC-YRNVUSSQSA-N
- Canonical SMILES
- CCCCN=C(C)C=1C(=O)CSC=1(O)
- Standard InChI
- InChI=1S/C10H15NO2S/c1-3-4-5-11-7(2)9-8(12)6-14-10(9)13/h13H,3-6H2,1-2H3/b11-7+
- Stored Murcko scaffold
- S1C=C[CH]C1
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.
- 445629#9611
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 74.96 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 213.298 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.439
- 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 · 7974885