Structure of molecule 47373

Molecule card · MolClass #47373

17388507

17388507: 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
17388507Mitochondrial Fusion · compound_name
MolClass ID
47373
InChIKey
DEZUFYGDHPJGOZ-UHFFFAOYSA-N
Canonical SMILES
Cc1ccc(O)c(c1)C(=O)c2cnc3NC(=O)N(C)Cc3(c2)
Standard InChI
InChI=1S/C16H15N3O3/c1-9-3-4-13(20)12(5-9)14(21)10-6-11-8-19(2)16(22)18-15(11)17-7-10/h3-7,20H,8H2,1-2H3,(H,17,18,22)
Stored Murcko scaffold
n1cc([CH]c2ccccc2)cc3c1N[CH][N]C3

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
2
CDK 2.12 · 2026-08-19
Rotatable bonds
2
CDK 2.12 · 2026-08-19
Topological polar surface area
82.53 Ų
CDK 2.12 · 2026-08-19
Molecular weight
297.309 g/mol
CDK 2.12 · 2026-08-19
XLogP
2.236
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 · 17388507