Structure of molecule 26009

Molecule card · MolClass #26009

7965209

7965209: 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
7965209Antifungal Pump Inhibitors · compound_name
7965209Mitochondrial Fusion · compound_name
MolClass ID
26009
InChIKey
GEQSCUMNVJZVCN-UHFFFAOYSA-N
Canonical SMILES
CCCCn3c4ccccc4(c2CCc1nonc1c23)
Standard InChI
InChI=1S/C16H17N3O/c1-2-3-10-19-14-7-5-4-6-11(14)12-8-9-13-15(16(12)19)18-20-17-13/h4-7H,2-3,8-10H2,1H3
Stored Murcko scaffold
n1onc2c1-c3[nH]c4ccccc4c3CC2

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
0
CDK 2.12 · 2026-08-19
Hydrogen bond donors
0
CDK 2.12 · 2026-08-19
Rotatable bonds
3
CDK 2.12 · 2026-08-19
Topological polar surface area
43.85 Ų
CDK 2.12 · 2026-08-19
Molecular weight
267.326 g/mol
CDK 2.12 · 2026-08-19
XLogP
4.849
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 · 7965209

  • Mitochondrial Fusion

    Dataset #19 · 7965209