Molecule card · MolClass #37222

24707898

24707898: 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: 24707898Mitochondrial Fusion · compound_name
MolClass ID: 37222
InChIKey: AAUDCECUTJMLMI-UHFFFAOYSA-N
Canonical SMILES: CNC(=O)C1(C=CCN1(C(C)=O))(CC(C)C)
Standard InChI: InChI=1S/C12H20N2O2/c1-9(2)8-12(11(16)13-4)6-5-7-14(12)10(3)15/h5-6,9H,7-8H2,1-4H3,(H,13,16)
Stored Murcko scaffold: [N]1CC=CC1

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: 4; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 5; CDK 2.12 · 2026-08-19
Topological polar surface area: 49.41 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 224.3 g/mol; CDK 2.12 · 2026-08-19
XLogP: 1.228; 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 · 24707898