Molecule card · MolClass #36688
865857
865857: 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
- 865857Mitochondrial Fusion · compound_name
- MolClass ID
- 36688
- InChIKey
- FKDYXZIMENMOCZ-UHFFFAOYSA-N
- Canonical SMILES
- COc2ccc1ccccc1c2C3CC(=O)N4CN(C)CSC4(=C3(C#N))
- Standard InChI
- InChI=1S/C20H19N3O2S/c1-22-11-23-18(24)9-15(16(10-21)20(23)26-12-22)19-14-6-4-3-5-13(14)7-8-17(19)25-2/h3-8,15H,9,11-12H2,1-2H3
- Stored Murcko scaffold
- S1C2=CC(c3cccc4ccccc43)C[CH]N2CNC1
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
- 4
- 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
- 81.87 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 365.451 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.196
- 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 · 865857