Molecule card · MolClass #47502
24802111
24802111: 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
- 24802111Mitochondrial Fusion · compound_name
- MolClass ID
- 47502
- InChIKey
- PUGTXQFAVFVOOI-UHFFFAOYSA-N
- Canonical SMILES
- CCn2c3ccccc3(nc2(N1CCN(CC1)S(=O)(=O)CC))
- Standard InChI
- InChI=1S/C15H22N4O2S/c1-3-19-14-8-6-5-7-13(14)16-15(19)17-9-11-18(12-10-17)22(20,21)4-2/h5-8H,3-4,9-12H2,1-2H3
- Stored Murcko scaffold
- n1c2ccccc2[nH]c1N3CCNCC3
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 66.82 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 322.427 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.46
- 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 · 24802111