Molecule card · MolClass #45873

24832626

24832626: 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: 24832626Mitochondrial Fusion · compound_name
MolClass ID: 45873
InChIKey: OCYGDZNVTZAHSC-UHFFFAOYSA-N
Canonical SMILES: FC(F)Oc1ccc(cc1)NC(Nn2cnnc2)=S
Standard InChI: InChI=1S/C10H9F2N5OS/c11-9(12)18-8-3-1-7(2-4-8)15-10(19)16-17-5-13-14-6-17/h1-6,9H,(H2,15,16,19)
Stored Murcko scaffold: n1ncn(c1)N[CH]Nc2ccccc2

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.

49823985#29236
24840523#42033
17433669#42035
24793038#42069
24780971#42086
17517122#42143
24825947#42147
4256496#42158
14738808#44391

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 4; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 2; CDK 2.12 · 2026-08-19
Rotatable bonds: 6; CDK 2.12 · 2026-08-19
Topological polar surface area: 96.09 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 285.275 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.004; 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 · 24832626