Molecule card · MolClass #41111

7973347

7973347: 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: 7973347Mitochondrial Fusion · compound_name
MolClass ID: 41111
InChIKey: PWADWGUYYUXYNS-UHFFFAOYSA-N
Canonical SMILES: OCCNC(=O)CCN2NC(=O)c1ccccc1C2(=O)
Standard InChI: InChI=1S/C13H15N3O4/c17-8-6-14-11(18)5-7-16-13(20)10-4-2-1-3-9(10)12(19)15-16/h1-4,17H,5-8H2,(H,14,18)(H,15,19)
Stored Murcko scaffold: [N]1[CH]c2ccccc2[CH]N1

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.

26730380#29466
844838#42515
850039#42535
24840725#42797
859654#45348

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 7; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 3; CDK 2.12 · 2026-08-19
Rotatable bonds: 6; CDK 2.12 · 2026-08-19
Topological polar surface area: 98.74 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 277.276 g/mol; CDK 2.12 · 2026-08-19
XLogP: -0.056; 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 · 7973347