Structure of molecule 38303

Molecule card · MolClass #38303

24795336

24795336: 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
24795336Mitochondrial Fusion · compound_name
MolClass ID
38303
InChIKey
JMYKVYIOIYMTPA-UHFFFAOYSA-N
Canonical SMILES
C=CS(=O)c1c(c(c(Cl)s1)N2CCOCC2)[N+](=O)[O-]
Standard InChI
InChI=1S/C10H11ClN2O4S2/c1-2-19(16)10-8(13(14)15)7(9(11)18-10)12-3-5-17-6-4-12/h2H,1,3-6H2
Stored Murcko scaffold
O1CCN(c2cscc2)CC1

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
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
120.13 Ų
CDK 2.12 · 2026-08-19
Molecular weight
322.791 g/mol
CDK 2.12 · 2026-08-19
XLogP
0.873
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 · 24795336