Molecule card · MolClass #38213

24806984

24806984: 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: 24806984Mitochondrial Fusion · compound_name
MolClass ID: 38213
InChIKey: BXJGLWOEEUVBFE-UHFFFAOYSA-N
Canonical SMILES: O=C2C(F)=CN(C(=O)N2(Cc1ccc(cc1)Cl))C3CCCO3
Standard InChI: InChI=1S/C15H14ClFN2O3/c16-11-5-3-10(4-6-11)8-19-14(20)12(17)9-18(15(19)21)13-2-1-7-22-13/h3-6,9,13H,1-2,7-8H2
Stored Murcko scaffold: O1CCCC1N2C=C[CH]N([CH]2)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.

856546#28713
4262241#37358
4261113#37811
14736092#37856

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 5; 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: 49.85 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 324.735 g/mol; CDK 2.12 · 2026-08-19
XLogP: 2.347; 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 · 24806984