Molecule card · MolClass #43338
7966701
7966701: 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
- 7966701Mitochondrial Fusion · compound_name
- MolClass ID
- 43338
- InChIKey
- LGUWQIBEXYYXRO-UHFFFAOYSA-N
- Canonical SMILES
- O=C(Nc1c(F)cc(F)cc1Br)c2cc(on2)C3CC3
- Standard InChI
- InChI=1S/C13H9BrF2N2O2/c14-8-3-7(15)4-9(16)12(8)17-13(19)10-5-11(20-18-10)6-1-2-6/h3-6H,1-2H2,(H,17,19)
- Stored Murcko scaffold
- n1oc(cc1[CH]Nc2ccccc2)C3CC3
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.
- 1986982#18186
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 55.13 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 343.124 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.195
- 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 · 7966701