Molecule card · MolClass #48518
24790349
24790349: 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
- 24790349Mitochondrial Fusion · compound_name
- MolClass ID
- 48518
- InChIKey
- RZCWMLNZLACXFX-UHFFFAOYSA-N
- Canonical SMILES
- O=C(NC1CCCCC1)N3CCCC(CNS(=O)(=O)Cc2ccccc2)C3
- Standard InChI
- InChI=1S/C20H31N3O3S/c24-20(22-19-11-5-2-6-12-19)23-13-7-10-18(15-23)14-21-27(25,26)16-17-8-3-1-4-9-17/h1,3-4,8-9,18-19,21H,2,5-7,10-16H2,(H,22,24)
- Stored Murcko scaffold
- S(NCC1CN([CH]NC2CCCCC2)CCC1)Cc3ccccc3
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
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 86.89 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 393.545 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.711
- 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 · 24790349