Structure of molecule 50692

Molecule card · MolClass #50692

17505479

17505479: 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
17505479Mitochondrial Fusion · compound_name
MolClass ID
50692
InChIKey
FHUSGEPSRGPTIY-XSFVSMFZSA-N
Canonical SMILES
CC2=CC=CN3C(=O)C(C=C(C#N)S(=O)(=O)c1ccccc1)=C(N=C23)Oc4ccc(cc4)Cl
Standard InChI
InChI=1S/C24H16ClN3O4S/c1-16-6-5-13-28-22(16)27-23(32-18-11-9-17(25)10-12-18)21(24(28)29)14-20(15-26)33(30,31)19-7-3-2-4-8-19/h2-14H,1H3/b20-14+
Stored Murcko scaffold
N=1C(Oc2ccccc2)=C(C=CSc3ccccc3)[CH]N4C=CC=CC14

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.

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors
6
CDK 2.12 · 2026-08-19
Hydrogen bond donors
0
CDK 2.12 · 2026-08-19
Rotatable bonds
5
CDK 2.12 · 2026-08-19
Topological polar surface area
108.21 Ų
CDK 2.12 · 2026-08-19
Molecular weight
477.921 g/mol
CDK 2.12 · 2026-08-19
XLogP
3.194
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 · 17505479