Molecule card · MolClass #35639
17507016
17507016: 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
- 17507016Mitochondrial Fusion · compound_name
- MolClass ID
- 35639
- InChIKey
- PLPKWDIJKMEYHO-UHFFFAOYSA-N
- Canonical SMILES
- CCCCC1NC(CS1)C(=O)O
- Standard InChI
- InChI=1S/C8H15NO2S/c1-2-3-4-7-9-6(5-12-7)8(10)11/h6-7,9H,2-5H2,1H3,(H,10,11)
- Stored Murcko scaffold
- S1CNCC1
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.
- 504-78-9#2597
- 92134-97-9#3606
- NOCAS_M208#4104
- 34592-47-7#4195
- 73870-33-4#4296
- NOCAS_M278#4632
- 92134-94-6#6653
- 92134-95-7#6845
- 88381-44-6#7070
- 34592-47-7#7999
- 17411340#26653
- 16952885#35871
- 851838#35894
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 74.63 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 189.277 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.668
- 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 · 17507016