Molecule card · MolClass #50283

17516789

17516789: 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: 17516789Mitochondrial Fusion · compound_name
MolClass ID: 50283
InChIKey: MQJYHVVZGORUOI-UHFFFAOYSA-N
Canonical SMILES: CN(c1ccccc1)C=3C(=O)c4ccccc4(C(=O)C=3(NC(=O)c2ccc(cc2)Cl))
Standard InChI: InChI=1S/C24H17ClN2O3/c1-27(17-7-3-2-4-8-17)21-20(26-24(30)15-11-13-16(25)14-12-15)22(28)18-9-5-6-10-19(18)23(21)29/h2-14H,1H3,(H,26,30)
Stored Murcko scaffold: c1ccc(cc1)[CH]Nc2cc3ccccc3cc2Nc4ccccc4

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.

22405757#50131
22405760#50136
17517457#50280

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 5; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 5; CDK 2.12 · 2026-08-19
Topological polar surface area: 66.48 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 416.857 g/mol; CDK 2.12 · 2026-08-19
XLogP: 5.887; 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 · 17516789