Molecule card · MolClass #49264
24815073
24815073: 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
- 24815073Mitochondrial Fusion · compound_name
- MolClass ID
- 49264
- InChIKey
- YYZXKSSBIJRBOI-UHFFFAOYSA-N
- Canonical SMILES
- COC(=O)c4c1CC(C)(C)NC(C)(C)c1sc4(NC(=O)c3nc2ccccc2s3)
- Standard InChI
- InChI=1S/C21H23N3O3S2/c1-20(2)10-11-14(19(26)27-5)17(29-15(11)21(3,4)24-20)23-16(25)18-22-12-8-6-7-9-13(12)28-18/h6-9,24H,10H2,1-5H3,(H,23,25)
- Stored Murcko scaffold
- n1c(sc2ccccc12)[CH]Nc3sc4c(c3)CCNC4
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 136.8 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 429.559 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.894
- 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 · 24815073