Molecule card · MolClass #37650

24804368

24804368: 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: 24804368Mitochondrial Fusion · compound_name
MolClass ID: 37650
InChIKey: IGPYGRLEVKHBSJ-UHFFFAOYSA-N
Canonical SMILES: CC(=O)NC1=NN(C(C)=O)C(C)(CC(=O)OC(C)(C)C)S1
Standard InChI: InChI=1S/C13H21N3O4S/c1-8(17)14-11-15-16(9(2)18)13(6,21-11)7-10(19)20-12(3,4)5/h7H2,1-6H3,(H,14,15,17)
Stored Murcko scaffold: N=1[N]CSC1

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.

24802802#28680
14736952#37217
24805978#37300
24804655#39309

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: 7; CDK 2.12 · 2026-08-19
Topological polar surface area: 113.37 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 315.39 g/mol; CDK 2.12 · 2026-08-19
XLogP: 1.531; 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.

No saved predictions yet. Explore classification models to choose a prediction.

Source datasets

Dataset registrations and identifiers stored in MolClass.

Mitochondrial Fusion
Dataset #19 · 24804368