Structure of molecule 26067

Molecule card · MolClass #26067

24823234

24823234: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.

2 source records · 0 model builds with saved results

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Structure and identifiers

Imported compound names
24823234Antifungal Pump Inhibitors · compound_name
24823234Mitochondrial Fusion · compound_name
MolClass ID
26067
InChIKey
MSXWDGSTENQXBT-UHFFFAOYSA-N
Canonical SMILES
CC2COC(=O)C(NNc1ccc(c(c1)Cl)Cl)=N2
Standard InChI
InChI=1S/C11H11Cl2N3O2/c1-6-5-18-11(17)10(14-6)16-15-7-2-3-8(12)9(13)4-7/h2-4,6,15H,5H2,1H3,(H,14,16)
Stored Murcko scaffold
N1=C([CH]OCC1)NNc2ccccc2

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
5
CDK 2.12 · 2026-08-19
Hydrogen bond donors
2
CDK 2.12 · 2026-08-19
Rotatable bonds
3
CDK 2.12 · 2026-08-19
Topological polar surface area
62.72 Ų
CDK 2.12 · 2026-08-19
Molecular weight
288.13 g/mol
CDK 2.12 · 2026-08-19
XLogP
3.93
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.

  • Antifungal Pump Inhibitors

    Dataset #18 · 24823234

  • Mitochondrial Fusion

    Dataset #19 · 24823234