Molecule card · MolClass #47519
24787620
24787620: 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
- 24787620Mitochondrial Fusion · compound_name
- MolClass ID
- 47519
- InChIKey
- YCCNOWQXRLDYBC-UHFFFAOYSA-N
- Canonical SMILES
- CN2C(=C(N)c1ccccc1S2(=O)(=O))C(=O)c3ccccc3
- Standard InChI
- InChI=1S/C16H14N2O3S/c1-18-15(16(19)11-7-3-2-4-8-11)14(17)12-9-5-6-10-13(12)22(18,20)21/h2-10H,17H2,1H3
- Stored Murcko scaffold
- S1NC([CH]c2ccccc2)=Cc3ccccc13
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 88.85 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 314.361 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.464
- 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 · 24787620