Molecule card · MolClass #50806

17432610

17432610: 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: 17432610Mitochondrial Fusion · compound_name
MolClass ID: 50806
InChIKey: ATVFCWZTRFEAQM-MWLSYYOVSA-N
Canonical SMILES: CC(=NNc1nc(cc(n1)c2ccc(F)cc2)c3ccccc3)c4cccc(N)c4
Standard InChI: InChI=1S/C24H20FN5/c1-16(19-8-5-9-21(26)14-19)29-30-24-27-22(17-6-3-2-4-7-17)15-23(28-24)18-10-12-20(25)13-11-18/h2-15H,26H2,1H3,(H,27,28,30)/b29-16-
Stored Murcko scaffold: N(=Cc1ccccc1)Nc2nc(cc(n2)-c3ccccc3)-c4ccccc4

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.

1921442#13559
17432506#50790

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 5; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 2; CDK 2.12 · 2026-08-19
Rotatable bonds: 5; CDK 2.12 · 2026-08-19
Topological polar surface area: 76.19 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 397.448 g/mol; CDK 2.12 · 2026-08-19
XLogP: 6.359; 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 · 17432610