Molecule card · MolClass #49011

24829682

24829682: 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: 24829682Mitochondrial Fusion · compound_name
MolClass ID: 49011
InChIKey: OZZXSMLZGFVVHC-UHFFFAOYSA-N
Canonical SMILES: O=C(OCc1cc(ccc1(OC(F)F))Cl)c2cncc(c2)Br
Standard InChI: InChI=1S/C14H9BrClF2NO3/c15-10-3-8(5-19-6-10)13(20)21-7-9-4-11(16)1-2-12(9)22-14(17)18/h1-6,14H,7H2
Stored Murcko scaffold: n1cccc(c1)[CH]OCc2ccccc2

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.

2417716#10357
22410085#34858
24784600#46017

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 3; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 0; CDK 2.12 · 2026-08-19
Rotatable bonds: 6; CDK 2.12 · 2026-08-19
Topological polar surface area: 48.42 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 392.58 g/mol; CDK 2.12 · 2026-08-19
XLogP: 4.465; 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 · 24829682