Molecule card · MolClass #44774
17507198
17507198: 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
- 17507198Mitochondrial Fusion · compound_name
- MolClass ID
- 44774
- InChIKey
- ZCWOFTGAKCTFSL-UHFFFAOYSA-N
- Canonical SMILES
- CC2(C)(CC(=O)c3c1cc(ccc1n(c3(C2))S(=O)(=O)c4ccccc4)NS(=O)(=O)c5ccccc5)
- Standard InChI
- InChI=1S/C26H24N2O5S2/c1-26(2)16-23-25(24(29)17-26)21-15-18(27-34(30,31)19-9-5-3-6-10-19)13-14-22(21)28(23)35(32,33)20-11-7-4-8-12-20/h3-15,27H,16-17H2,1-2H3
- Stored Murcko scaffold
- S(Nc1ccc2c(c1)c3[CH]CCCc3n2Sc4ccccc4)c5ccccc5
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 119.07 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 508.612 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.485
- 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 · 17507198