Molecule card · MolClass #38206

3714272

3714272: 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: 3714272Mitochondrial Fusion · compound_name
MolClass ID: 38206
InChIKey: UVILWKAAMBUOLX-UHFFFAOYSA-N
Canonical SMILES: Oc1ccc(c(O)c1)c3onc(c3(c2cscn2))C(F)(F)F
Standard InChI: InChI=1S/C13H7F3N2O3S/c14-13(15,16)12-10(8-4-22-5-17-8)11(21-18-12)7-2-1-6(19)3-9(7)20/h1-5,19-20H
Stored Murcko scaffold: n1oc(-c2ccccc2)c(c1)-c3ncsc3

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.

3717625#28395
24835529#41067
24834411#41263
14745654#41613

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 3; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 2; CDK 2.12 · 2026-08-19
Rotatable bonds: 3; CDK 2.12 · 2026-08-19
Topological polar surface area: 107.62 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 328.268 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.527; 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 · 3714272