Molecule card · MolClass #44526
17388138
17388138: 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
- 17388138Mitochondrial Fusion · compound_name
- MolClass ID
- 44526
- InChIKey
- JPLCKIPJEBAINY-HJWRWDBZSA-N
- Canonical SMILES
- CN2C(=O)C(c1ccccc12)=C3C(=O)N=C(N)S3
- Standard InChI
- InChI=1S/C12H9N3O2S/c1-15-7-5-3-2-4-6(7)8(11(15)17)9-10(16)14-12(13)18-9/h2-5H,1H3,(H2,13,14,16)/b9-8-
- Stored Murcko scaffold
- N1=CSC([CH]1)=C2[CH][N]c3ccccc32
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 101.06 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 259.285 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.724
- 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 · 17388138