Molecule card · MolClass #40988

14727964

14727964: 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: 14727964Mitochondrial Fusion · compound_name
MolClass ID: 40988
InChIKey: NUXWNNUAPDEWOZ-UQQQWYQISA-N
Canonical SMILES: C=CCON=C(C)C3=C(O)C(CC)=C(c1ccccc1)N(c2ccccc2)C3(=O)
Standard InChI: InChI=1S/C24H24N2O3/c1-4-16-29-25-17(3)21-23(27)20(5-2)22(18-12-8-6-9-13-18)26(24(21)28)19-14-10-7-11-15-19/h4,6-15,27H,1,5,16H2,2-3H3/b25-17-
Stored Murcko scaffold: c1ccc(cc1)C2=CC=C[CH]N2c3ccccc3

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.

14727903#33946
22411953#39435
14727969#40875
22404960#41545
14727965#41843
22412466#42903

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 3; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 7; CDK 2.12 · 2026-08-19
Topological polar surface area: 62.13 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 388.46 g/mol; CDK 2.12 · 2026-08-19
XLogP: 5.36; 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 · 14727964