Molecule card · MolClass #36276
847741
847741: 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
- 847741Mitochondrial Fusion · compound_name
- MolClass ID
- 36276
- InChIKey
- BBWNVXBQSLSVLW-UHFFFAOYSA-N
- Canonical SMILES
- CCSC1=C(C#N)C(=O)n2c3CCCCc3(cc12)
- Standard InChI
- InChI=1S/C14H14N2OS/c1-2-18-13-10(8-15)14(17)16-11-6-4-3-5-9(11)7-12(13)16/h7H,2-6H2,1H3
- Stored Murcko scaffold
- c1cc2cc3c(n2c1)CCCC3
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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 71.09 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 258.34 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.936
- 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 · 847741