Molecule card · MolClass #39458
24806132
24806132: 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
- 24806132Mitochondrial Fusion · compound_name
- MolClass ID
- 39458
- InChIKey
- UDEYUPYKUREXLM-SQFISAMPSA-N
- Canonical SMILES
- CCN3C(C)=C(C)SC3(=C2C(=O)N(C1CCCCC1)C(=S)S2)
- Standard InChI
- InChI=1S/C16H22N2OS3/c1-4-17-10(2)11(3)21-15(17)13-14(19)18(16(20)22-13)12-8-6-5-7-9-12/h12H,4-9H2,1-3H3/b15-13-
- Stored Murcko scaffold
- S1C=CNC1=C2S[CH]N([CH]2)C3CCCCC3
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 106.24 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 354.558 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.626
- 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 · 24806132