Molecule card · MolClass #37807

24822069

24822069: 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: 24822069Mitochondrial Fusion · compound_name
MolClass ID: 37807
InChIKey: UUVYSRUTOWFSNO-UHFFFAOYSA-N
Canonical SMILES: COC(=O)C2N3C(=O)CN(Cc1ccc(F)cc1)C(=O)C3(CS2)
Standard InChI: InChI=1S/C15H15FN2O4S/c1-22-15(21)14-18-11(8-23-14)13(20)17(7-12(18)19)6-9-2-4-10(16)5-3-9/h2-5,11,14H,6-8H2,1H3
Stored Murcko scaffold: S1CN2[CH]CN([CH]C2C1)Cc3ccccc3

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.

49648849#29457
24822042#30640

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 6; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 0; CDK 2.12 · 2026-08-19
Rotatable bonds: 4; CDK 2.12 · 2026-08-19
Topological polar surface area: 92.22 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 338.356 g/mol; CDK 2.12 · 2026-08-19
XLogP: 0.811; 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 · 24822069