Structure of molecule 43747

Molecule card · MolClass #43747

7973692

7973692: 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
7973692Mitochondrial Fusion · compound_name
MolClass ID
43747
InChIKey
KDYGQGXSXKSUEN-UHFFFAOYSA-N
Canonical SMILES
CCCOc1ccc(cc1)S(=O)(=O)N2C=C(C(=O)NC2(=O))Br
Standard InChI
InChI=1S/C13H13BrN2O5S/c1-2-7-21-9-3-5-10(6-4-9)22(19,20)16-8-11(14)12(17)15-13(16)18/h3-6,8H,2,7H2,1H3,(H,15,17,18)
Stored Murcko scaffold
S(c1ccccc1)N2C=C[CH]N[CH]2

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.

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors
6
CDK 2.12 · 2026-08-19
Hydrogen bond donors
1
CDK 2.12 · 2026-08-19
Rotatable bonds
5
CDK 2.12 · 2026-08-19
Topological polar surface area
101.16 Ų
CDK 2.12 · 2026-08-19
Molecular weight
389.223 g/mol
CDK 2.12 · 2026-08-19
XLogP
2.621
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 · 7973692