Molecule card · MolClass #41463

14730308

14730308: 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: 14730308Mitochondrial Fusion · compound_name
MolClass ID: 41463
InChIKey: ABIWCNHHMUYWQJ-VOTSOKGWSA-N
Canonical SMILES: CN(C)C=CC(=O)C1=NN(C(=O)N(C)C1(=O))c2ccc(F)cc2(F)
Standard InChI: InChI=1S/C15H14F2N4O3/c1-19(2)7-6-12(22)13-14(23)20(3)15(24)21(18-13)11-5-4-9(16)8-10(11)17/h4-8H,1-3H3/b7-6+
Stored Murcko scaffold: [N]1[CH]C=NN([CH]1)c2ccccc2

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.

26728369#28902
14730310#30929
24820168#31285
14730309#42736

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 7; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 0; CDK 2.12 · 2026-08-19
Rotatable bonds: 4; CDK 2.12 · 2026-08-19
Topological polar surface area: 73.29 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 336.294 g/mol; CDK 2.12 · 2026-08-19
XLogP: 1.791; 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 · 14730308