Molecule card · MolClass #41907

4263265

4263265: 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: 4263265Mitochondrial Fusion · compound_name
MolClass ID: 41907
InChIKey: DRLKUUKMQDTSDS-UHFFFAOYSA-N
Canonical SMILES: CN(C)S(=O)(=O)N2CCc1ccccc12
Standard InChI: InChI=1S/C10H14N2O2S/c1-11(2)15(13,14)12-8-7-9-5-3-4-6-10(9)12/h3-6H,7-8H2,1-2H3
Stored Murcko scaffold: c1ccc2c(c1)NCC2

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.

LOPAC 01010#597
32692-19-6#7538
19727-83-4#8149
11957577#9458
HMDB04067#24125
24782398#30426
862351#30728
22414541#34797
24826495#42206

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 4; 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: 49 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 226.297 g/mol; CDK 2.12 · 2026-08-19
XLogP: 1.358; 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 · 4263265