Molecule card · MolClass #46773

14743434

14743434: 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: 14743434Mitochondrial Fusion · compound_name
MolClass ID: 46773
InChIKey: JZRBOJXPDWLSLY-UHFFFAOYSA-N
Canonical SMILES: CC(C)Oc1ccc(cc1)C(=O)NC3(N=C2N(CCS2)C3(=O))C(F)(F)F
Standard InChI: InChI=1S/C16H16F3N3O3S/c1-9(2)25-11-5-3-10(4-6-11)12(23)20-15(16(17,18)19)13(24)22-7-8-26-14(22)21-15/h3-6,9H,7-8H2,1-2H3,(H,20,23)
Stored Murcko scaffold: N1=C2SCCN2[CH]C1N[CH]c3ccccc3

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.

14735068#41302
862508#43979
861563#44211

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 5; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 6; CDK 2.12 · 2026-08-19
Topological polar surface area: 96.3 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 387.378 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.595; 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 · 14743434