Molecule card · MolClass #41239

24817662

24817662: 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: 24817662Mitochondrial Fusion · compound_name
MolClass ID: 41239
InChIKey: XTULGTCCHMSQNX-UHFFFAOYSA-N
Canonical SMILES: CC3(C)(C1CCC(C1)C3(C)(NC(=O)CNCC2CCCCC2))
Standard InChI: InChI=1S/C19H34N2O/c1-18(2)15-9-10-16(11-15)19(18,3)21-17(22)13-20-12-14-7-5-4-6-8-14/h14-16,20H,4-13H2,1-3H3,(H,21,22)
Stored Murcko scaffold: [CH](NC1CC2CCC1C2)CNCC3CCCCC3

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: 3; 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: 41.13 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 306.487 g/mol; CDK 2.12 · 2026-08-19
XLogP: 4.274; 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 · 24817662