Molecule card · MolClass #35664
856695
856695: 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
- 856695Mitochondrial Fusion · compound_name
- MolClass ID
- 35664
- InChIKey
- SZKGBSCQYWWPMO-UHFFFAOYSA-N
- Canonical SMILES
- CC2(C)(NCCN1C(=O)CSC12)
- Standard InChI
- InChI=1S/C8H14N2OS/c1-8(2)7-10(4-3-9-8)6(11)5-12-7/h7,9H,3-5H2,1-2H3
- Stored Murcko scaffold
- S1C[CH]N2CCNCC12
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.
- 26660782#27037
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
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 57.64 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 186.276 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.045
- 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 · 856695