Molecule card · MolClass #51628

14733361

14733361: 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: 14733361Mitochondrial Fusion · compound_name
MolClass ID: 51628
InChIKey: SNPULDFVHOUJEE-UHFFFAOYSA-N
Canonical SMILES: CC(=O)N(Cc1ccc(F)cc1)C=3C(=O)c4ccccc4(C(=O)C=3(NCCc2ccccc2))
Standard InChI: InChI=1S/C27H23FN2O3/c1-18(31)30(17-20-11-13-21(28)14-12-20)25-24(29-16-15-19-7-3-2-4-8-19)26(32)22-9-5-6-10-23(22)27(25)33/h2-14,29H,15-17H2,1H3
Stored Murcko scaffold: [N](c1cc2ccccc2cc1NCCc3ccccc3)Cc4ccccc4

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: 8; CDK 2.12 · 2026-08-19
Topological polar surface area: 66.48 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 442.483 g/mol; CDK 2.12 · 2026-08-19
XLogP: 5.3; 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 · 14733361