Molecule card · MolClass #47056
17504478
17504478: 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
- 17504478Mitochondrial Fusion · compound_name
- MolClass ID
- 47056
- InChIKey
- JXHMSDJKMNDSDC-UHFFFAOYSA-N
- Canonical SMILES
- Nc1ccc(cc1)S(=O)(=O)NNC(=O)C(=O)NNc2ccccc2
- Standard InChI
- InChI=1S/C14H15N5O4S/c15-10-6-8-12(9-7-10)24(22,23)19-18-14(21)13(20)17-16-11-4-2-1-3-5-11/h1-9,16,19H,15H2,(H,17,20)(H,18,21)
- Stored Murcko scaffold
- S(NN[CH][CH]NNc1ccccc1)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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 9
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 5
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 150.8 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 349.367 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.869
- 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 · 17504478