Molecule card · MolClass #37179

14743737

14743737: 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: 14743737Mitochondrial Fusion · compound_name
MolClass ID: 37179
InChIKey: PRTLNIMBZDDOAA-UHFFFAOYSA-N
Canonical SMILES: CCOc1ccccc1n4c2cccc[n+]2c(C(=O)Nc3ccc(C)cc3)c4[S-]
Standard InChI: InChI=1S/C23H21N3O2S/c1-3-28-19-9-5-4-8-18(19)26-20-10-6-7-15-25(20)21(23(26)29)22(27)24-17-13-11-16(2)12-14-17/h4-15H,3H2,1-2H3,(H-,24,27,29)
Stored Murcko scaffold: c1ccc(cc1)N[CH]c2cn(-c3ccccc3)c4cccc[n+]24

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.

24834881#38556
24826593#38557

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 2; 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: 47.36 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 403.499 g/mol; CDK 2.12 · 2026-08-19
XLogP: 6.421; 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 · 14743737