Molecule card · MolClass #51696
14730578
14730578: 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
- 14730578Mitochondrial Fusion · compound_name
- MolClass ID
- 51696
- InChIKey
- BZFSDAVTASDSDP-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)C(NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)NC2=NCCS2
- Standard InChI
- InChI=1S/C19H27N3O2S/c1-12(2)15(17(24)22-18-20-10-11-25-18)21-16(23)13-6-8-14(9-7-13)19(3,4)5/h6-9,12,15H,10-11H2,1-5H3,(H,21,23)(H,20,22,24)
- Stored Murcko scaffold
- N1=C(SCC1)N[CH]CN[CH]c2ccccc2
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 95.86 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 361.503 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.916
- 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 · 14730578