Molecule card · MolClass #41319
14735278
14735278: 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
- 14735278Mitochondrial Fusion · compound_name
- MolClass ID
- 41319
- InChIKey
- FTTVEJUDKAEMHH-MZTKBTAGSA-N
- Canonical SMILES
- Cc1cccc(c1)C=C3CSC(=Cc2cccc(C)c2)C3(=O)
- Standard InChI
- InChI=1S/C20H18OS/c1-14-5-3-7-16(9-14)11-18-13-22-19(20(18)21)12-17-8-4-6-15(2)10-17/h3-12H,13H2,1-2H3/b18-11+,19-12-
- Stored Murcko scaffold
- S1C(=Cc2ccccc2)[CH]C(=Cc3ccccc3)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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 1
- 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
- 42.37 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 306.423 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.069
- 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 · 14735278