Molecule card · MolClass #46919
24821415
24821415: 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
- 24821415Mitochondrial Fusion · compound_name
- MolClass ID
- 46919
- InChIKey
- OMCSSEOQFCJAPA-UHFFFAOYSA-N
- Canonical SMILES
- N#CCN3C(=O)C1CCCN1c2ccc(cc23)S(=O)(=O)N4CCOCC4
- Standard InChI
- InChI=1S/C17H20N4O4S/c18-5-7-21-16-12-13(26(23,24)19-8-10-25-11-9-19)3-4-14(16)20-6-1-2-15(20)17(21)22/h3-4,12,15H,1-2,6-11H2
- Stored Murcko scaffold
- [N]1[CH]C2N(c3ccc(SN4CCOCC4)cc13)CCC2
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
- 8
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 102.33 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 376.432 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -0.001
- 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 · 24821415