Molecule card · MolClass #37032

24816855

24816855: 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: 24816855Mitochondrial Fusion · compound_name
MolClass ID: 37032
InChIKey: RQJOZJNVROJXOW-UHFFFAOYSA-N
Canonical SMILES: CC1CCCCN1S(=O)(=O)C2=CN(C)C(=O)N(C)C2(=O)
Standard InChI: InChI=1S/C12H19N3O4S/c1-9-6-4-5-7-15(9)20(18,19)10-8-13(2)12(17)14(3)11(10)16/h8-9H,4-7H2,1-3H3
Stored Murcko scaffold: n1cncc(SN2CCCCC2)c1

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.

14738880#39333
24779280#39539
7969801#41480
7971627#43993

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 7; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 0; CDK 2.12 · 2026-08-19
Rotatable bonds: 2; CDK 2.12 · 2026-08-19
Topological polar surface area: 86.38 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 301.364 g/mol; CDK 2.12 · 2026-08-19
XLogP: -0.224; 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 · 24816855