Molecule card · MolClass #49036
24832188
24832188: 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
- 24832188Mitochondrial Fusion · compound_name
- MolClass ID
- 49036
- InChIKey
- UGJYLIFFGBUAKC-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)NC(NCCC2=CCCCC2)=S
- Standard InChI
- InChI=1S/C16H22N2S/c1-13-7-9-15(10-8-13)18-16(19)17-12-11-14-5-3-2-4-6-14/h5,7-10H,2-4,6,11-12H2,1H3,(H2,17,18,19)
- Stored Murcko scaffold
- c1ccc(cc1)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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 56.15 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 274.426 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.286
- 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 · 24832188