Molecule card · MolClass #50121

22406366

22406366: 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: 22406366Mitochondrial Fusion · compound_name
MolClass ID: 50121
InChIKey: MKOUIFABTMMXAX-UHFFFAOYSA-N
Canonical SMILES: Cc1ccc(cc1)c2csc3ncnc(c23)N4CCc5ccccc5(C4)
Standard InChI: InChI=1S/C22H19N3S/c1-15-6-8-17(9-7-15)19-13-26-22-20(19)21(23-14-24-22)25-11-10-16-4-2-3-5-18(16)12-25/h2-9,13-14H,10-12H2,1H3
Stored Murcko scaffold: n1cnc(c2c1scc2-c3ccccc3)N4Cc5ccccc5CC4

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.

22409834#49992
22402981#50237
22401021#50270

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 3; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 0; CDK 2.12 · 2026-08-19
Rotatable bonds: 2; CDK 2.12 · 2026-08-19
Topological polar surface area: 57.26 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 357.473 g/mol; CDK 2.12 · 2026-08-19
XLogP: 5.501; 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 · 22406366