Molecule card · MolClass #40455

24807997

24807997: 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: 24807997Mitochondrial Fusion · compound_name
MolClass ID: 40455
InChIKey: OILSUAOPHMBUFP-UHFFFAOYSA-N
Canonical SMILES: Cn2cc(c1ccccc12)C5N3CC4(C)(CN5(CC(C)(C3)C4(=O)))
Standard InChI: InChI=1S/C19H23N3O/c1-18-9-21-11-19(2,17(18)23)12-22(10-18)16(21)14-8-20(3)15-7-5-4-6-13(14)15/h4-8,16H,9-12H2,1-3H3
Stored Murcko scaffold: c1ccc2c(c1)[nH]cc2C3N4CC5[CH]C(C4)CN3C5

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.

865792#32790
7965360#41598

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 3; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 0; CDK 2.12 · 2026-08-19
Rotatable bonds: 1; CDK 2.12 · 2026-08-19
Topological polar surface area: 28.48 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 309.406 g/mol; CDK 2.12 · 2026-08-19
XLogP: 1.425; 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.

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Source datasets

Dataset registrations and identifiers stored in MolClass.

Mitochondrial Fusion
Dataset #19 · 24807997