Molecule card · MolClass #43547

24796689

24796689: 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: 24796689Mitochondrial Fusion · compound_name
MolClass ID: 43547
InChIKey: RJZSMUFOJACFCA-UHFFFAOYSA-N
Canonical SMILES: CCC(C)(C)NC(=O)CN(CCc1cccc(C)c1)C(=O)c2csnn2
Standard InChI: InChI=1S/C19H26N4O2S/c1-5-19(3,4)20-17(24)12-23(18(25)16-13-26-22-21-16)10-9-15-8-6-7-14(2)11-15/h6-8,11,13H,5,9-10,12H2,1-4H3,(H,20,24)
Stored Murcko scaffold: n1nc([CH][N]CCc2ccccc2)cs1

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.

24790426#42939
24790559#47265

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 6; 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: 103.43 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 374.502 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.417; 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 · 24796689