Molecule card · MolClass #43581

4265483

4265483: 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: 4265483Mitochondrial Fusion · compound_name
MolClass ID: 43581
InChIKey: BAOBGGZLJZFRLO-UHFFFAOYSA-N
Canonical SMILES: CC1(C)(CC(CC(C)(C)N1)NC(=O)CCC2CCCC2)
Standard InChI: InChI=1S/C17H32N2O/c1-16(2)11-14(12-17(3,4)19-16)18-15(20)10-9-13-7-5-6-8-13/h13-14,19H,5-12H2,1-4H3,(H,18,20)
Stored Murcko scaffold: [CH](NC1CCNCC1)CCC2CCCC2

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: 5; CDK 2.12 · 2026-08-19
Topological polar surface area: 41.13 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 280.449 g/mol; CDK 2.12 · 2026-08-19
XLogP: 4.318; 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 · 4265483