Molecule card · MolClass #49263

24815616

24815616: 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: 24815616Mitochondrial Fusion · compound_name
MolClass ID: 49263
InChIKey: FYXMPNXCHXPZBU-UHFFFAOYSA-N
Canonical SMILES: CN(C)CCCN(C(=O)COc1ccc(cc1)Cl)c3nc2ccc(F)cc2s3
Standard InChI: InChI=1S/C20H21ClFN3O2S/c1-24(2)10-3-11-25(19(26)13-27-16-7-4-14(21)5-8-16)20-23-17-9-6-15(22)12-18(17)28-20/h4-9,12H,3,10-11,13H2,1-2H3
Stored Murcko scaffold: [N]([CH]COc1ccccc1)c2nc3ccccc3s2

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.

24816284#49228
24815619#49247

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 4; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 0; CDK 2.12 · 2026-08-19
Rotatable bonds: 9; CDK 2.12 · 2026-08-19
Topological polar surface area: 73.91 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 421.918 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.72; 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 · 24815616