Molecule card · MolClass #49230

24815620

24815620: 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: 24815620Mitochondrial Fusion · compound_name
MolClass ID: 49230
InChIKey: YZZKLDDEYYZLHP-VQHVLOKHSA-N
Canonical SMILES: CN(C)CCCN(C(=O)C=Cc1cccs1)c3nc2ccc(F)cc2s3
Standard InChI: InChI=1S/C19H20FN3OS2/c1-22(2)10-4-11-23(18(24)9-7-15-5-3-12-25-15)19-21-16-8-6-14(20)13-17(16)26-19/h3,5-9,12-13H,4,10-11H2,1-2H3/b9-7+
Stored Murcko scaffold: [N]([CH]C=Cc1sccc1)c2nc3ccccc3s2

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.

No other molecules currently have this stored scaffold.

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 4; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 0; CDK 2.12 · 2026-08-19
Rotatable bonds: 8; CDK 2.12 · 2026-08-19
Topological polar surface area: 92.92 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 389.513 g/mol; CDK 2.12 · 2026-08-19
XLogP: 2.75; 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 · 24815620