Molecule card · MolClass #51426
14743883
14743883: 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
- 14743883Mitochondrial Fusion · compound_name
- MolClass ID
- 51426
- InChIKey
- CUXYHNGPTASUPT-UHFFFAOYSA-N
- Canonical SMILES
- CCC(CC)c3nnc(NC(=O)c1ccc2ccccc2(n1))s3
- Standard InChI
- InChI=1S/C17H18N4OS/c1-3-11(4-2)16-20-21-17(23-16)19-15(22)14-10-9-12-7-5-6-8-13(12)18-14/h5-11H,3-4H2,1-2H3,(H,19,21,22)
- Stored Murcko scaffold
- n1nc(sc1)N[CH]c2nc3ccccc3cc2
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 96.01 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 326.418 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.379
- 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 · 14743883