Molecule card · MolClass #37300

24805978

24805978: 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: 24805978Mitochondrial Fusion · compound_name
MolClass ID: 37300
InChIKey: BGQRRQSEQJFTJN-UHFFFAOYSA-N
Canonical SMILES: CCOC(=O)CC1(C)(N(N=C(NC(C)=O)S1)C(C)=O)
Standard InChI: InChI=1S/C11H17N3O4S/c1-5-18-9(17)6-11(4)14(8(3)16)13-10(19-11)12-7(2)15/h5-6H2,1-4H3,(H,12,13,15)
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
24804368#37650
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: 287.337 g/mol; CDK 2.12 · 2026-08-19
XLogP: 0.654; 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 · 24805978