Molecule card · MolClass #39508
7977268
7977268: 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
- 7977268Mitochondrial Fusion · compound_name
- MolClass ID
- 39508
- InChIKey
- UHKNHDMPQZFNCF-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(o1)C4C(C#N)=C(N)Oc3c2ccccc2sc34
- Standard InChI
- InChI=1S/C17H12N2O2S/c1-9-6-7-12(20-9)14-11(8-18)17(19)21-15-10-4-2-3-5-13(10)22-16(14)15/h2-7,14H,19H2,1H3
- Stored Murcko scaffold
- o1cccc1C2C=COc3c2sc4ccccc43
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 100.42 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 308.356 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.384
- 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 · 7977268