Molecule card · MolClass #37764
7971340
7971340: 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
- 7971340Mitochondrial Fusion · compound_name
- MolClass ID
- 37764
- InChIKey
- HURKUWSFLUKOMW-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)CC4C(=O)NCCN4(C(=O)c2cc1C(=O)N3C=CC=CC3(=Nc1s2))
- Standard InChI
- InChI=1S/C19H18N4O5S/c1-2-28-15(24)10-12-16(25)20-6-8-22(12)19(27)13-9-11-17(29-13)21-14-5-3-4-7-23(14)18(11)26/h3-5,7,9,12H,2,6,8,10H2,1H3,(H,20,25)
- Stored Murcko scaffold
- N=1c2sc(cc2[CH]N3C=CC=CC13)[CH]N4C[CH]NCC4
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.
- 7970979#37519
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 9
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 136.62 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 414.437 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -0.567
- 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 · 7971340