Molecule card · MolClass #41146

14733397

14733397: 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: 14733397Mitochondrial Fusion · compound_name
MolClass ID: 41146
InChIKey: OIEFVNWELIWYLZ-UHFFFAOYSA-N
Canonical SMILES: CCC2(O)(CC(=NN2(C(=O)c1ccccc1))C(=O)OC)
Standard InChI: InChI=1S/C14H16N2O4/c1-3-14(19)9-11(13(18)20-2)15-16(14)12(17)10-7-5-4-6-8-10/h4-8,19H,3,9H2,1-2H3
Stored Murcko scaffold: N1=CCCN1[CH]c2ccccc2

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.

17387843#28065
22411717#33728
17401319#44294
17412409#45643
22412768#45816
CCOC(=O)C1CC(O)(N(N=1)C(=O)c1cccc(OC)c1)C(C)(C)C#152420

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 6; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 5; CDK 2.12 · 2026-08-19
Topological polar surface area: 79.2 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 276.288 g/mol; CDK 2.12 · 2026-08-19
XLogP: 2.354; 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 · 14733397