Molecule card · MolClass #49404

24807202

24807202: 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: 24807202Mitochondrial Fusion · compound_name
MolClass ID: 49404
InChIKey: HNOIWJHDPWTDGC-UHFFFAOYSA-N
Canonical SMILES: CCc1ccc(cc1)OCc3nnc(n3(Cc2ccccc2))S
Standard InChI: InChI=1S/C18H19N3OS/c1-2-14-8-10-16(11-9-14)22-13-17-19-20-18(23)21(17)12-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H,20,23)
Stored Murcko scaffold: n1nc(n(c1)Cc2ccccc2)COc3ccccc3

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.

24805602#49423
24794240#49591
22415597#49864

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 2; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 0; CDK 2.12 · 2026-08-19
Rotatable bonds: 6; CDK 2.12 · 2026-08-19
Topological polar surface area: 78.74 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 325.43 g/mol; CDK 2.12 · 2026-08-19
XLogP: 5.987; 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 · 24807202