Molecule card · MolClass #50083
22407200
22407200: 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
- 22407200Mitochondrial Fusion · compound_name
- MolClass ID
- 50083
- InChIKey
- VYNCMUCZHHZJLJ-UHFFFAOYSA-N
- Canonical SMILES
- CC1CC1C(=O)Nc4nc(c2cccs2)c(c3cccs3)s4
- Standard InChI
- InChI=1S/C16H14N2OS3/c1-9-8-10(9)15(19)18-16-17-13(11-4-2-6-20-11)14(22-16)12-5-3-7-21-12/h2-7,9-10H,8H2,1H3,(H,17,18,19)
- Stored Murcko scaffold
- n1c(sc(-c2sccc2)c1-c3sccc3)N[CH]C4CC4
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 126.71 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 346.494 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.515
- 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 · 22407200