Molecule card · MolClass #38685

7973438

7973438: 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: 7973438Mitochondrial Fusion · compound_name
MolClass ID: 38685
InChIKey: AZFLSHFJGOJQBG-UHFFFAOYSA-N
Canonical SMILES: CC(C)C2C=3C(=O)CC(C)(C)CC=3(ON2(c1ccccc1))
Standard InChI: InChI=1S/C18H23NO2/c1-12(2)17-16-14(20)10-18(3,4)11-15(16)21-19(17)13-8-6-5-7-9-13/h5-9,12,17H,10-11H2,1-4H3
Stored Murcko scaffold: O1C2=C([CH]CCC2)CN1c3ccccc3

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.

No other molecules currently have this stored scaffold.

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: 2; CDK 2.12 · 2026-08-19
Topological polar surface area: 29.54 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 285.381 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.634; 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 · 7973438