Molecule card · MolClass #44699
24780355
24780355: 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
- 24780355Mitochondrial Fusion · compound_name
- MolClass ID
- 44699
- InChIKey
- SWDGKINHJJAOSU-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)CN2CCN(CC2(CCO))Cc3cnc(C)s3
- Standard InChI
- InChI=1S/C19H27N3OS/c1-15-3-5-17(6-4-15)12-22-9-8-21(13-18(22)7-10-23)14-19-11-20-16(2)24-19/h3-6,11,18,23H,7-10,12-14H2,1-2H3
- Stored Murcko scaffold
- n1csc(c1)CN2CCN(Cc3ccccc3)CC2
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 67.84 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 345.504 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.305
- 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 · 24780355