Molecule card · MolClass #45682
24829834
24829834: 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
- 24829834Mitochondrial Fusion · compound_name
- MolClass ID
- 45682
- InChIKey
- HIEXRINBLDGUDW-OWBHPGMISA-N
- Canonical SMILES
- CCOC(O)=C2C(C)=NC(N(C=O)C2(c1ccccc1))=S
- Standard InChI
- InChI=1S/C15H16N2O3S/c1-3-20-14(19)12-10(2)16-15(21)17(9-18)13(12)11-7-5-4-6-8-11/h4-9,13,19H,3H2,1-2H3/b14-12-
- Stored Murcko scaffold
- N=1[CH][N]C([CH]C1)c2ccccc2
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 94.22 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 304.366 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.494
- 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 · 24829834