Molecule card · MolClass #41248

7968526

7968526: 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: 7968526Mitochondrial Fusion · compound_name
MolClass ID: 41248
InChIKey: OKULPQQPSSOOOO-UHFFFAOYSA-N
Canonical SMILES: CC2CCc3nn(CC(=O)NCCN1CCOCC1)cc3(C2)
Standard InChI: InChI=1S/C16H26N4O2/c1-13-2-3-15-14(10-13)11-20(18-15)12-16(21)17-4-5-19-6-8-22-9-7-19/h11,13H,2-10,12H2,1H3,(H,17,21)
Stored Murcko scaffold: n1c2c(cn1C[CH]NCCN3CCOCC3)CCCC2

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: 5; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 6; CDK 2.12 · 2026-08-19
Topological polar surface area: 59.39 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 306.404 g/mol; CDK 2.12 · 2026-08-19
XLogP: 0.665; 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 · 7968526