Molecule card · MolClass #45793

14734185

14734185: 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: 14734185Mitochondrial Fusion · compound_name
MolClass ID: 45793
InChIKey: FYPSTSHVUHKSPF-UHFFFAOYSA-N
Canonical SMILES: CC2=CC(=O)N3N=C(c1ccc(cc1)C(F)(F)F)SC3(=N2)
Standard InChI: InChI=1S/C13H8F3N3OS/c1-7-6-10(20)19-12(17-7)21-11(18-19)8-2-4-9(5-3-8)13(14,15)16/h2-6H,1H3
Stored Murcko scaffold: N=1C=C[CH]N2N=C(SC12)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.

4263887#31516
14719395#37589
14733317#39957

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 4; 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: 70.33 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 311.284 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.104; 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 · 14734185