Molecule card · MolClass #50323

17515569

17515569: 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: 17515569Mitochondrial Fusion · compound_name
MolClass ID: 50323
InChIKey: FHMZXWCLDIAJDK-UHFFFAOYSA-N
Canonical SMILES: CN(C)CCCN(C(=O)c2c(c1ccccc1s2)Cl)c4nc3ccc(F)cc3s4
Standard InChI: InChI=1S/C21H19ClFN3OS2/c1-25(2)10-5-11-26(21-24-15-9-8-13(23)12-17(15)29-21)20(27)19-18(22)14-6-3-4-7-16(14)28-19/h3-4,6-9,12H,5,10-11H2,1-2H3
Stored Murcko scaffold: [N]([CH]c1sc2ccccc2c1)c3nc4ccccc4s3

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.

17515837#50317
17515819#50319

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: 7; CDK 2.12 · 2026-08-19
Topological polar surface area: 92.92 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 447.979 g/mol; CDK 2.12 · 2026-08-19
XLogP: 4.393; 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 · 17515569