Molecule card · MolClass #49520
24795730
24795730: 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
- 24795730Mitochondrial Fusion · compound_name
- MolClass ID
- 49520
- InChIKey
- RSLGRYIEGYHLAF-UHFFFAOYSA-N
- Canonical SMILES
- CCN(CC)c1ccc(cc1)C(NC2CCCCC2)=S
- Standard InChI
- InChI=1S/C17H26N2S/c1-3-19(4-2)16-12-10-14(11-13-16)17(20)18-15-8-6-5-7-9-15/h10-13,15H,3-9H2,1-2H3,(H,18,20)
- Stored Murcko scaffold
- c1ccc(cc1)[CH]NC2CCCCC2
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
- 2
- 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
- 47.36 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 290.468 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.823
- 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 · 24795730