Molecule card · MolClass #38997
860370
860370: 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
- 860370Mitochondrial Fusion · compound_name
- MolClass ID
- 38997
- InChIKey
- QOUYCVPVIJHRFS-NTCAYCPXSA-N
- Canonical SMILES
- CCOC(=O)C(C#N)=C2N(c1ccccc1)C(=O)C(CCO)S2
- Standard InChI
- InChI=1S/C16H16N2O4S/c1-2-22-16(21)12(10-17)15-18(11-6-4-3-5-7-11)14(20)13(23-15)8-9-19/h3-7,13,19H,2,8-9H2,1H3/b15-12+
- Stored Murcko scaffold
- S1[CH]N([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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 115.93 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 332.376 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.096
- 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 · 860370