Molecule card · MolClass #46038

24792831

24792831: 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: 24792831Mitochondrial Fusion · compound_name
MolClass ID: 46038
InChIKey: UUGBNKQYBXZRCM-UHFFFAOYSA-N
Canonical SMILES: CCC1CCCCN1S(=O)(=O)Cc2ccccc2Cl
Standard InChI: InChI=1S/C14H20ClNO2S/c1-2-13-8-5-6-10-16(13)19(17,18)11-12-7-3-4-9-14(12)15/h3-4,7,9,13H,2,5-6,8,10-11H2,1H3
Stored Murcko scaffold: S(N1CCCCC1)Cc2ccccc2

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.

16953305#43916
24786653#47836
4247430#48382

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 3; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 0; CDK 2.12 · 2026-08-19
Rotatable bonds: 4; CDK 2.12 · 2026-08-19
Topological polar surface area: 45.76 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 301.834 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.406; 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 · 24792831