Molecule card · MolClass #38252
24783431
24783431: 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
- 24783431Mitochondrial Fusion · compound_name
- MolClass ID
- 38252
- InChIKey
- UMLMAGFSDRQOKQ-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1S(=O)(=O)NC(C)(C)CO)c3nn4c(C)nnc4(c2ccccc23)
- Standard InChI
- InChI=1S/C21H23N5O3S/c1-13-9-10-15(11-18(13)30(28,29)25-21(3,4)12-27)19-16-7-5-6-8-17(16)20-23-22-14(2)26(20)24-19/h5-11,25,27H,12H2,1-4H3
- Stored Murcko scaffold
- n1nc2c3ccccc3c(nn2c1)-c4ccccc4
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
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 117.86 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 425.506 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.719
- 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 · 24783431