Molecule card · MolClass #37381
7968347
7968347: 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
- 7968347Mitochondrial Fusion · compound_name
- MolClass ID
- 37381
- InChIKey
- FQUZIXADWRGPRH-UHFFFAOYSA-N
- Canonical SMILES
- CN2C(=O)C=1C(CC(=O)NC=1N(C)C2(=O))c3cc4OCOc4(cc3Br)
- Standard InChI
- InChI=1S/C16H14BrN3O5/c1-19-14-13(15(22)20(2)16(19)23)8(4-12(21)18-14)7-3-10-11(5-9(7)17)25-6-24-10/h3,5,8H,4,6H2,1-2H3,(H,18,21)
- Stored Murcko scaffold
- n1cnc2N[CH]CC(c3ccc4OCOc4c3)c2c1
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 88.18 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 408.204 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.563
- 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 · 7968347