Molecule card · MolClass #50816

24810815

24810815: 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: 24810815Mitochondrial Fusion · compound_name
MolClass ID: 50816
InChIKey: CYFSVISGSFGFPX-UHFFFAOYSA-N
Canonical SMILES: Cc1ccc(cc1)CN(Cc2cccnc2)C(Nc3cc(ccc3(C))Cl)=S
Standard InChI: InChI=1S/C22H22ClN3S/c1-16-5-8-18(9-6-16)14-26(15-19-4-3-11-24-13-19)22(27)25-21-12-20(23)10-7-17(21)2/h3-13H,14-15H2,1-2H3,(H,25,27)
Stored Murcko scaffold: n1cccc(c1)CN([CH]Nc2ccccc2)Cc3ccccc3

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.

24782898#49778
24781937#49804
24810236#49821

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 3; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 7; CDK 2.12 · 2026-08-19
Topological polar surface area: 60.25 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 395.95 g/mol; CDK 2.12 · 2026-08-19
XLogP: 5.707; 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 · 24810815