Molecule card · MolClass #43524

17385988

17385988: 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: 17385988Mitochondrial Fusion · compound_name
MolClass ID: 43524
InChIKey: QGYNZLLHXVPAEM-UHFFFAOYSA-N
Canonical SMILES: Cc1ccc(cc1)C3NNC(=O)C3(NC(=O)c2ccccc2)
Standard InChI: InChI=1S/C17H17N3O2/c1-11-7-9-12(10-8-11)14-15(17(22)20-19-14)18-16(21)13-5-3-2-4-6-13/h2-10,14-15,19H,1H3,(H,18,21)(H,20,22)
Stored Murcko scaffold: c1ccc(cc1)[CH]NC2[CH]NNC2c3ccccc3

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.

14745470#42495
14731875#43498
24786429#45446

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 5; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 3; CDK 2.12 · 2026-08-19
Rotatable bonds: 4; CDK 2.12 · 2026-08-19
Topological polar surface area: 70.23 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 295.336 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.805; 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 · 17385988