Molecule card · MolClass #38000

24787298

24787298: 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: 24787298Mitochondrial Fusion · compound_name
MolClass ID: 38000
InChIKey: LUCTZVVMLJWEBP-UHFFFAOYSA-N
Canonical SMILES: NC(=O)Cn2nc(c1CCCCc12)C(F)(F)F
Standard InChI: InChI=1S/C10H12F3N3O/c11-10(12,13)9-6-3-1-2-4-7(6)16(15-9)5-8(14)17/h1-5H2,(H2,14,17)
Stored Murcko scaffold: n1cc2c([nH]1)CCCC2

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.

24803635#33664
24808426#38661
14721255#39323
24808609#39640
14721342#40227
24803588#40306
24803868#41061

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 3; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 3; CDK 2.12 · 2026-08-19
Topological polar surface area: 60.91 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 247.217 g/mol; CDK 2.12 · 2026-08-19
XLogP: 1.201; 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 · 24787298