Molecule card · MolClass #49819
24780846
24780846: 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
- 24780846Mitochondrial Fusion · compound_name
- MolClass ID
- 49819
- InChIKey
- SBYCSVOUQFRMNP-UHFFFAOYSA-N
- Canonical SMILES
- COC(=O)CCC(=O)Nc2c(C(N)=O)c(C)c(Cc1ccccc1)s2
- Standard InChI
- InChI=1S/C18H20N2O4S/c1-11-13(10-12-6-4-3-5-7-12)25-18(16(11)17(19)23)20-14(21)8-9-15(22)24-2/h3-7H,8-10H2,1-2H3,(H2,19,23)(H,20,21)
- Stored Murcko scaffold
- s1cccc1Cc2ccccc2
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.
- 24790436#49667
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
- 9
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 126.73 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 360.429 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.191
- 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 · 24780846