Molecule card · MolClass #38196

14728292

14728292: 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: 14728292Mitochondrial Fusion · compound_name
MolClass ID: 38196
InChIKey: OVKVVQHYQFDCIJ-UHFFFAOYSA-N
Canonical SMILES: O=C1CC(=Nc2ccccc2(N1))C(F)(F)C(F)(F)C(F)(F)F
Standard InChI: InChI=1S/C12H7F7N2O/c13-10(14,11(15,16)12(17,18)19)8-5-9(22)21-7-4-2-1-3-6(7)20-8/h1-4H,5H2,(H,21,22)
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
14727602#38495
863574#40780
7973827#43391

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: 3; CDK 2.12 · 2026-08-19
Topological polar surface area: 41.46 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 328.186 g/mol; CDK 2.12 · 2026-08-19
XLogP: 2.839; 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 · 14728292