Molecule card · MolClass #47636
24790118
24790118: 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
- 24790118Mitochondrial Fusion · compound_name
- MolClass ID
- 47636
- InChIKey
- OIJNGOYADKCFLK-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)NC(=O)CSc2nc(N)c(c1ccccc1)c(O)n2
- Standard InChI
- InChI=1S/C15H18N4O2S/c1-9(2)17-11(20)8-22-15-18-13(16)12(14(21)19-15)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,17,20)(H3,16,18,19,21)
- Stored Murcko scaffold
- n1cncc(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
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 126.43 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 318.396 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.523
- 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 · 24790118