Molecule card · MolClass #49536
24795197
24795197: 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
- 24795197Mitochondrial Fusion · compound_name
- MolClass ID
- 49536
- InChIKey
- SYIHRDMRMDZDOT-UHFFFAOYSA-N
- Canonical SMILES
- O=C(NC(NCCC1=CCCCC1)=S)c2ccc(o2)Br
- Standard InChI
- InChI=1S/C14H17BrN2O2S/c15-12-7-6-11(19-12)13(18)17-14(20)16-9-8-10-4-2-1-3-5-10/h4,6-7H,1-3,5,8-9H2,(H2,16,17,18,20)
- Stored Murcko scaffold
- o1cccc1[CH]N[CH]NCCC2=CCCCC2
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 86.36 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 357.267 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.116
- 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 · 24795197