Molecule card · MolClass #37662
851821
851821: 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
- 851821Mitochondrial Fusion · compound_name
- MolClass ID
- 37662
- InChIKey
- QEYODQNJDBDVDN-UHFFFAOYSA-N
- Canonical SMILES
- O=C2C=CN(CNC(=O)c1ccccc1)C(N2)=S
- Standard InChI
- InChI=1S/C12H11N3O2S/c16-10-6-7-15(12(18)14-10)8-13-11(17)9-4-2-1-3-5-9/h1-7H,8H2,(H,13,17)(H,14,16,18)
- Stored Murcko scaffold
- c1ccc(cc1)[CH]NCN2C=C[CH]N[CH]2
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 93.53 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 261.301 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.675
- 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 · 851821