Molecule card · MolClass #35966

24789112

24789112: 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: 24789112Mitochondrial Fusion · compound_name
MolClass ID: 35966
InChIKey: YPBKWUNJSDEZEA-UUILKARUSA-N
Canonical SMILES: CC(O)C(N=CC=1C(=O)OC(C)(C)OC=1(O))C(=O)O
Standard InChI: InChI=1S/C11H15NO7/c1-5(13)7(8(14)15)12-4-6-9(16)18-11(2,3)19-10(6)17/h4-5,7,13,16H,1-3H3,(H,14,15)/b12-4+
Stored Murcko scaffold: O1[CH]C=COC1

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.

864538#29409
4248677#34030
24813119#35989
14737161#36212

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 8; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 3; CDK 2.12 · 2026-08-19
Rotatable bonds: 4; CDK 2.12 · 2026-08-19
Topological polar surface area: 125.65 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 273.24 g/mol; CDK 2.12 · 2026-08-19
XLogP: -1.939; 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 · 24789112