Molecule card · MolClass #43391

7973827

7973827: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.

1 source records · 0 model builds with saved results

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Structure and identifiers

Imported compound names: 7973827Mitochondrial Fusion · compound_name
MolClass ID: 43391
InChIKey: ULJXHTHPIYIYSL-UHFFFAOYSA-N
Canonical SMILES: O=C1CC(=Nc2ccccc2(N1))C(F)(F)C(F)(F)C(F)(F)C(F)F
Standard InChI: InChI=1S/C13H8F8N2O/c14-10(15)12(18,19)13(20,21)11(16,17)8-5-9(24)23-7-4-2-1-3-6(7)22-8/h1-4,10H,5H2,(H,23,24)
Stored Murcko scaffold: N1=CC[CH]Nc2ccccc12

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.

1951859#17615
ZINC06202724#23590
4264407#31529
4263032#36469
14728292#38196
14727602#38495
863574#40780

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 3; 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: 41.46 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 360.203 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.204; 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 · 7973827