Molecule card · MolClass #49766
24784324
24784324: 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
- 24784324Mitochondrial Fusion · compound_name
- MolClass ID
- 49766
- InChIKey
- ZAOVZQWTWKHZCZ-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc(cc1(OC))C(=O)Nc3nc2ccccc2s3
- Standard InChI
- InChI=1S/C16H14N2O3S/c1-20-12-8-7-10(9-13(12)21-2)15(19)18-16-17-11-5-3-4-6-14(11)22-16/h3-9H,1-2H3,(H,17,18,19)
- Stored Murcko scaffold
- n1c(sc2ccccc12)N[CH]c3ccccc3
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 88.69 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 314.361 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.464
- 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 · 24784324