Molecule card · MolClass #50173

22403660

22403660: 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: 22403660Mitochondrial Fusion · compound_name
MolClass ID: 50173
InChIKey: FIWOJDHHIMLTPK-UHFFFAOYSA-N
Canonical SMILES: CN(C)c1ccc(cc1)N=Nc3ccccc3(C(=O)OCC(=O)NCC2CCCCC2)
Standard InChI: InChI=1S/C24H30N4O3/c1-28(2)20-14-12-19(13-15-20)26-27-22-11-7-6-10-21(22)24(30)31-17-23(29)25-16-18-8-4-3-5-9-18/h6-7,10-15,18H,3-5,8-9,16-17H2,1-2H3,(H,25,29)
Stored Murcko scaffold: N(=Nc1ccccc1[CH]OC[CH]NCC2CCCCC2)c3ccccc3

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: 7; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 10; CDK 2.12 · 2026-08-19
Topological polar surface area: 83.36 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 422.521 g/mol; CDK 2.12 · 2026-08-19
XLogP: 5.902; 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 · 22403660