Molecule card · MolClass #45958

24805542

24805542: 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: 24805542Mitochondrial Fusion · compound_name
MolClass ID: 45958
InChIKey: OPNXLNZVQCVBJC-UHFFFAOYSA-N
Canonical SMILES: CC(C)C13(CN2CC(CN(C1)C2(C)(C))(C(C)C)C3(=O))
Standard InChI: InChI=1S/C16H28N2O/c1-11(2)15-7-17-9-16(12(3)4,13(15)19)10-18(8-15)14(17,5)6/h11-12H,7-10H2,1-6H3
Stored Murcko scaffold: [CH]1C2CN3CN(C2)CC1C3

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.

22413545#27548
7975686#28936
24780388#39092

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: 2; CDK 2.12 · 2026-08-19
Topological polar surface area: 23.55 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 264.407 g/mol; CDK 2.12 · 2026-08-19
XLogP: 2.231; 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 · 24805542