Molecule card · MolClass #36752

24819335

24819335: 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: 24819335Mitochondrial Fusion · compound_name
MolClass ID: 36752
InChIKey: UWFPWWFHGPKIAY-UHFFFAOYSA-N
Canonical SMILES: FC(F)(F)c1cc(c2nnc(n2(c1))C(F)(F)Cl)Cl
Standard InChI: InChI=1S/C8H2Cl2F5N3/c9-4-1-3(8(13,14)15)2-18-5(4)16-17-6(18)7(10,11)12/h1-2H
Stored Murcko scaffold: n1nc2ccccn2c1

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.

24820580#27054
3714031#27573
24819354#28203
17410752#36533
17410856#36625
14746672#39279
24827653#40777
3717463#47453

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 2; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 0; CDK 2.12 · 2026-08-19
Rotatable bonds: 2; CDK 2.12 · 2026-08-19
Topological polar surface area: 30.19 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 306.02 g/mol; CDK 2.12 · 2026-08-19
XLogP: 5.394; 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.

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Source datasets

Dataset registrations and identifiers stored in MolClass.

Mitochondrial Fusion
Dataset #19 · 24819335