Molecule card · MolClass #37939
4250095
4250095: 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
- 4250095Mitochondrial Fusion · compound_name
- MolClass ID
- 37939
- InChIKey
- MQMVOCWCDBOYOM-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)CC2=NN1C(=O)C=C(C)N=C1S2
- Standard InChI
- InChI=1S/C10H11N3O3S/c1-3-16-9(15)5-7-12-13-8(14)4-6(2)11-10(13)17-7/h4H,3,5H2,1-2H3
- Stored Murcko scaffold
- N=1C=C[CH]N2N=CSC12
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 96.63 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 253.279 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.41
- 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 · 4250095