Molecule card · MolClass #41191

24802860

24802860: 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: 24802860Mitochondrial Fusion · compound_name
MolClass ID: 41191
InChIKey: BBOGVVJGROGHRN-SAPNQHFASA-N
Canonical SMILES: CC2CN(C)C(C)CC2(=NOC(=O)c1ccc(F)cc1)
Standard InChI: InChI=1S/C15H19FN2O2/c1-10-9-18(3)11(2)8-14(10)17-20-15(19)12-4-6-13(16)7-5-12/h4-7,10-11H,8-9H2,1-3H3/b17-14+
Stored Murcko scaffold: N(O[CH]c1ccccc1)=C2CCNCC2

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.

17411557#33076
17507609#39911
24805837#45566

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 2; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 0; CDK 2.12 · 2026-08-19
Rotatable bonds: 3; CDK 2.12 · 2026-08-19
Topological polar surface area: 41.9 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 278.323 g/mol; CDK 2.12 · 2026-08-19
XLogP: 2.827; 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 · 24802860