Molecule card · MolClass #36170
859184
859184: 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
- 859184Mitochondrial Fusion · compound_name
- MolClass ID
- 36170
- InChIKey
- GIWGUGKYSSLEOP-UHFFFAOYSA-N
- Canonical SMILES
- CN1CCc2c(C1)sc3NC(NC(=O)c23)c4cccs4
- Standard InChI
- InChI=1S/C14H15N3OS2/c1-17-5-4-8-10(7-17)20-14-11(8)13(18)15-12(16-14)9-3-2-6-19-9/h2-3,6,12,16H,4-5,7H2,1H3,(H,15,18)
- Stored Murcko scaffold
- s1cccc1C2N[CH]c3c(sc4c3CCNC4)N2
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 100.85 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 305.421 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.908
- 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 · 859184