Molecule card · MolClass #48661

7973567

7973567: 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: 7973567Mitochondrial Fusion · compound_name
MolClass ID: 48661
InChIKey: OQCOFFPUQSKDCI-UHFFFAOYSA-N
Canonical SMILES: COc2c1ccoc1c(OC)c3OC(=CC(=O)c23)C(F)(F)C(F)(F)F
Standard InChI: InChI=1S/C15H9F5O5/c1-22-10-6-3-4-24-11(6)13(23-2)12-9(10)7(21)5-8(25-12)14(16,17)15(18,19)20/h3-5H,1-2H3
Stored Murcko scaffold: O1C=C[CH]c2cc3ccoc3cc12

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.

Khellin#1463
VISNAGIN#2207
1158776#17918

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 1; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 0; CDK 2.12 · 2026-08-19
Rotatable bonds: 4; CDK 2.12 · 2026-08-19
Topological polar surface area: 57.9 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 364.222 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.368; 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 · 7973567