Molecule card · MolClass #42789
24816604
24816604: 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
- 24816604Mitochondrial Fusion · compound_name
- MolClass ID
- 42789
- InChIKey
- BQSGICOXFBGJOU-UHFFFAOYSA-N
- Canonical SMILES
- CN1C(N)=C(C(=O)N(C)C1(=O))S(=O)(=O)NCc2ccc(cc2)Cl
- Standard InChI
- InChI=1S/C13H15ClN4O4S/c1-17-11(15)10(12(19)18(2)13(17)20)23(21,22)16-7-8-3-5-9(14)6-4-8/h3-6,16H,7,15H2,1-2H3
- Stored Murcko scaffold
- n1cncc(SNCc2ccccc2)c1
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
- 8
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 121.19 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 358.802 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.507
- 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 · 24816604