Molecule card · MolClass #51817

14726663

14726663: 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: 14726663Mitochondrial Fusion · compound_name
MolClass ID: 51817
InChIKey: FBXCANGVJBRBNR-UHFFFAOYSA-N
Canonical SMILES: COCCN1CCN(CC1)c3cc(nc2cc(nn23)c4cccc(F)c4)c5ccccc5
Standard InChI: InChI=1S/C25H26FN5O/c1-32-15-14-29-10-12-30(13-11-29)25-18-22(19-6-3-2-4-7-19)27-24-17-23(28-31(24)25)20-8-5-9-21(26)16-20/h2-9,16-18H,10-15H2,1H3
Stored Murcko scaffold: n1c(cc(n2nc(cc12)-c3ccccc3)N4CCNCC4)-c5ccccc5

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.

14726610#35336
16953183#51340

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: 6; CDK 2.12 · 2026-08-19
Topological polar surface area: 45.9 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 431.506 g/mol; CDK 2.12 · 2026-08-19
XLogP: 5.097; 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.

No saved predictions yet. Explore classification models to choose a prediction.

Source datasets

Dataset registrations and identifiers stored in MolClass.

Mitochondrial Fusion
Dataset #19 · 14726663